SCHEMBL29419014

SCHEMBL29419014

c1cncc(-c2cccnc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 10/20 1.00
CYP3A4 P08684 4/20 1.00
ALDH1A1 P00352 2/20 1.00
CYP1A2 P05177 1/20 1.00
KDM4E B2RXH2 1/20 0.70
LMNA P02545 1/20 0.70
TP53 P04637 1/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.70
ALOX15 P16050 1/20 0.70
HTT P42858 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HSD17B10 Q99714 1/20 0.70
CYP2B6 P20813 4/20 0.62
MKNK1 Q9BUB5 3/20 0.62
MKNK2 Q9HBH9 3/20 0.62
CYP2C9 P11712 3/20 0.62
CYP2C19 P33261 2/20 0.62
MEN1 O00255 1/20 0.62
PSIP1 O75475 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30473120 1.00 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL120088 1.00 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
Benzene SCHEMBL27934930 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
Hydrochloric Acid SCHEMBL4831090 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
Phosphine SCHEMBL28126457 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL28275760 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL28301145 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL27812368 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL28247322 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL24534338 0.94 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 97 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503436-B2 Compounds and compositions for treating conditions associated with STING activity NOVARTIS PHARMA AG (CH) 2025-12-23 US claimed
WO-2025038910-A1 CRYSTALLINE POLYMORPH FORM A OF A JAK INHIBITOR AND METHODS FOR ITS PREPARATION ACLARIS THERAPEUTICS, INC. (US) 2025-02-20 WO claimed
CN-118324689-A 3,3' -Bipyridyl salt and water-based zinc-based flow battery negative electrode electrolyte and preparation method thereof 西安交通大学 2024-07-12 CN claimed
CN-118239908-A Method for preparing hexafluoropropylene oxide by photo-oxidation of hexafluoropropylene 内蒙古永和氟化工有限公司 2024-06-25 CN claimed
CN-117101609-A Application of cationic cycloparaffin material in identification and light-controllable coating-release of azo compound 中山大学 2023-11-24 CN claimed
CN-116947860-A Cationic cyclopean material, preparation method thereof and application thereof in iodine adsorption 中山大学 2023-10-27 CN claimed
EP-4225780-A2 REGULATORS OF CELL DIVISION Technische Universität Dresden (DE) 2023-08-16 EP claimed
CN-113831301-B Benzothiazole derivative and application thereof 沈阳药科大学 2023-06-06 CN claimed
CN-114854037-B Cobalt (II) complex with semiconductor property and preparation method thereof 宿州学院 2023-05-12 CN claimed
CN-116102554-A Naphthalimide bicyclic compound, preparation method and application thereof 首都师范大学 2023-05-12 CN claimed
CN-111408410-B Catalyst composition, preparation method thereof and application thereof in reaction for synthesizing 1-butene through selective dimerization of ethylene 中国石油化工股份有限公司 2023-03-24 CN claimed
CN-111408404-B Catalyst composition, preparation method thereof and application thereof in reaction for synthesizing 1-butene through selective dimerization of ethylene 中国石油化工股份有限公司 2023-03-14 CN claimed
CN-115613061-A Modification method of tryptophan and indole derivatives under electrooxidation condition 浙江工业大学 2023-01-17 CN claimed
US-11518933-B2 Precursor based method of synthesis and fabrication of hybrid lighting phosphors with high quantum efficiency, and significantly enhanced thermal and photostability RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-12-06 US claimed
CN-114854037-A Cobalt (II) complex with semiconductor property and preparation method thereof 宿州学院 2022-08-05 CN claimed
EP-3464298-B1 PRECURSOR BASED METHOD OF SYNTHESIS AND FABRICATION OF HYBRID LIGHTING PHOSPHORS WITH HIGH QUANTUM EFFICIENCY, AND SIGNIFICANTLY ENHANCED THERMAL AND PHOTOSTABILITY UNIV RUTGERS (US) 2022-07-06 EP claimed
WO-2022074072-A2 REGULATORS OF CELL DIVISION Technische Universität Dresden (DE) 2022-04-14 WO claimed
CN-114173772-A Inhibitors of CD40-CD154 binding 托尼克斯医药控股公司 2022-03-11 CN claimed
EP-3952853-A1 INHIBITORS OF CD40-CD154 BINDING Tonix Pharmaceuticals Holding Corp. (US) 2022-02-16 EP claimed
US-20260103444-A1 8-HYDROXYQUINOLINE COMPOUND AND USE THEREOF UNIV OSAKA (JP) 2026-04-16 US disclosed
EP-3724181-B1 ORGANIC MOLECULES WITH A TRIFLUOROMETHYL-BIPHENYL CORE FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2026-01-28 EP disclosed
US-12428596-B2 Organic light emitting device LG DISPLAY CO., LTD. (KR) 2025-09-30 US disclosed
EP-4613746-A2 PHOTOELECTRIC CONVERSION ELEMENT MATERIAL FOR IMAGING ELEMENT AND PHOTOELECTRIC CONVERSION ELEMENT FOR IMAGING ELEMENT Tosoh Corporation (JP) 2025-09-10 EP disclosed
EP-4599832-A1 8-HYDROXYQUINOLINE COMPOUND AND USE THEREOF OSAKA UNIVERSITY (JP) 2025-08-13 EP disclosed
CN-115613061-B Modification method of tryptophan and indole derivatives under electrooxidation condition 浙江工业大学 2025-06-24 CN disclosed
CN-117947286-B Comprehensive utilization method of clay type lithium ore 东莞东阳光科研发有限公司 2025-05-30 CN disclosed
WO-2025093800-A1 COMPOUNDS AND ANTIBODIES FOR THE IMMUNODETECTION OF CITRININ UNIVERSITAT DE VALÈNCIA (ES) 2025-05-08 WO disclosed
US-20250092040-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2025-03-20 US disclosed
CN-115746037-B Synthesis method of alpha-halogenated borate compound and product thereof 同济大学 2025-03-14 CN disclosed
CN-116478137-B Thermal crosslinking fluorescent material based on vinyl group and application thereof 常州大学 2025-02-25 CN disclosed
CN-116478137-B Thermal crosslinking fluorescent material based on vinyl group and application thereof 常州大学 2025-02-25 CN disclosed
CN-118765275-A Process for preparing phenyl tetrahydrofuran compounds 基因泰克公司 2024-10-11 CN disclosed
CN-118666739-A Synthesis method of titanium-catalyzed bipyridine compound and analogue 北京师范大学 2024-09-20 CN disclosed
EP-4430392-A1 BIOSENSOR, BIOSENSOR COMPONENTS, AND USE THEREOF Victoria Link Limited (NZ) 2024-09-18 EP disclosed
CN-114980886-B Compounds and methods for treating oxalate-related diseases 奥沙鲁克斯公司 2024-08-09 CN disclosed
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
CN-118324689-A 3,3' -Bipyridyl salt and water-based zinc-based flow battery negative electrode electrolyte and preparation method thereof 西安交通大学 2024-07-12 CN disclosed
CN-118324689-A 3,3' -Bipyridyl salt and water-based zinc-based flow battery negative electrode electrolyte and preparation method thereof 西安交通大学 2024-07-12 CN disclosed
CN-118236991-A Anion functionalized microporous material and preparation method and application thereof 浙江大学杭州国际科创中心 2024-06-25 CN disclosed
CN-118239908-A Method for preparing hexafluoropropylene oxide by photo-oxidation of hexafluoropropylene 内蒙古永和氟化工有限公司 2024-06-25 CN disclosed
CN-114981253-B Process and intermediates for preparing chroman compounds and methods therefor 印度鲁宾有限公司 2024-06-18 CN disclosed
US-11999730-B1 AKT1 modulators ALTEROME THERAPEUTICS, INC. (US) 2024-06-04 US disclosed
US-20240174667-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-05-30 US disclosed
CN-117947286-A Comprehensive utilization method of clay type lithium ore 东莞东阳光科研发有限公司 2024-04-30 CN disclosed
WO-2024075815-A1 8-HYDROXYQUINOLINE COMPOUND AND USE THEREOF 国立大学法人大阪大学 2024-04-11 WO disclosed
US-20240122065-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN TOSOH CORPORATION (JP) 2024-04-11 US disclosed
EP-4342883-A1 PHOTOELECTRIC CONVERSION ELEMENT MATERIAL FOR IMAGING ELEMENT AND PHOTOELECTRIC CONVERSION ELEMENT FOR IMAGING ELEMENT Tosoh Corporation (JP) 2024-03-27 EP disclosed
CN-117440940-A Material for photoelectric conversion element for image pickup element and photoelectric conversion element for image pickup element 东曹株式会社 2024-01-23 CN disclosed
CN-110997648-B Condensed ring compound 东曹株式会社 2023-12-19 CN disclosed
CN-111344287-B Novel substituted biaryl compounds as indoleamine 2, 3-dioxygenase (IDO) inhibitors 默沙东有限责任公司 2023-12-19 CN disclosed
EP-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP disclosed
CN-117101609-A Application of cationic cycloparaffin material in identification and light-controllable coating-release of azo compound 中山大学 2023-11-24 CN disclosed
CN-111788195-B Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death 海帕瑞吉尼克斯股份有限公司 2023-11-21 CN disclosed
CN-117044428-A Lateral current suppressing material, carbazole compound, hole injection layer, and organic electroluminescent element 东曹株式会社 2023-11-10 CN disclosed
CN-116947860-A Cationic cyclopean material, preparation method thereof and application thereof in iodine adsorption 中山大学 2023-10-27 CN disclosed
CN-116903867-A Porous metal-organic structure, method for producing same, adsorbent, and method for separating carbon dioxide 株式会社东芝 2023-10-20 CN disclosed
CN-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 CN disclosed
CN-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed
EP-4225780-A2 REGULATORS OF CELL DIVISION Technische Universität Dresden (DE) 2023-08-16 EP disclosed
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 CN disclosed
WO-2023143401-A1 COMPOUND SERVING AS MASP-2 INHIBITOR, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR, AND USE THEREOF 武汉朗来科技发展有限公司 2023-08-03 WO disclosed
CN-116478137-A Thermal crosslinking fluorescent material based on vinyl group and application thereof 常州大学 2023-07-25 CN disclosed
CN-116478137-A Thermal crosslinking fluorescent material based on vinyl group and application thereof 常州大学 2023-07-25 CN disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed
CN-116284772-A Bipyridine triazole covalent organic polymer and preparation method and application thereof 四川大学 2023-06-23 CN disclosed
CN-116157382-A Material for metal patterning, amine compound, electronic device, and method for forming metal pattern 东曹株式会社 2023-05-23 CN disclosed
WO-2023085954-A1 BIOSENSOR, BIOSENSOR COMPONENTS, AND USE THEREOF VICTORIA LINK LIMITED (NZ) 2023-05-19 WO disclosed
CN-114854037-B Cobalt (II) complex with semiconductor property and preparation method thereof 宿州学院 2023-05-12 CN disclosed
CN-114854037-B Cobalt (II) complex with semiconductor property and preparation method thereof 宿州学院 2023-05-12 CN disclosed
CN-116102554-A Naphthalimide bicyclic compound, preparation method and application thereof 首都师范大学 2023-05-12 CN disclosed
CN-111433195-B Pyridone derivatives and their use as selective ALK-2 inhibitors 诺华股份有限公司 2023-04-25 CN disclosed
CN-111408405-B Catalyst composition, preparation method thereof and application thereof in reaction for synthesizing 1-butene through selective dimerization of ethylene 中国石油化工股份有限公司 2023-03-28 CN disclosed
CN-111408410-B Catalyst composition, preparation method thereof and application thereof in reaction for synthesizing 1-butene through selective dimerization of ethylene 中国石油化工股份有限公司 2023-03-24 CN disclosed
CN-111408409-B Catalyst composition, preparation method thereof and application thereof in reaction for synthesizing 1-butene through selective dimerization of ethylene 中国石油化工股份有限公司 2023-03-14 CN disclosed
CN-111408404-B Catalyst composition, preparation method thereof and application thereof in reaction for synthesizing 1-butene through selective dimerization of ethylene 中国石油化工股份有限公司 2023-03-14 CN disclosed
WO-2023013615-A1 AMINE COMPOUND, HOLE INJECTION LAYER AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2023-02-09 WO disclosed
WO-2023013697-A1 MATERIAL FOR METAL PATTERNING, FLUORO COMPOUND, THIN FILM FOR METAL PATTERNING, ORGANIC ELECTROLUMINESCENCE DEVICE, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2023-02-09 WO disclosed
CN-115613061-A Modification method of tryptophan and indole derivatives under electrooxidation condition 浙江工业大学 2023-01-17 CN disclosed
CN-112513145-B Polymer, composition, electrochromic element, light control device, and display device 国立研究开发法人物质·材料研究机构 2022-12-27 CN disclosed
US-11518933-B2 Precursor based method of synthesis and fabrication of hybrid lighting phosphors with high quantum efficiency, and significantly enhanced thermal and photostability RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-12-06 US disclosed
CN-115417856-A Pharmaceutical application of substituted heteroaraliphthalazine derivatives and preparation method thereof 成都奥睿药业有限公司 2022-12-02 CN disclosed
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed
WO-2022211123-A1 TRANSVERSE CURRENT SUPPRESSING MATERIAL, CARBAZOLE COMPOUND, HOLE INJECTION LAYER, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2022-10-06 WO disclosed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 WO disclosed
WO-2022167819-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2022-08-11 WO disclosed
CN-114854037-A Cobalt (II) complex with semiconductor property and preparation method thereof 宿州学院 2022-08-05 CN disclosed
CN-114835687-A AhR inhibitors 重庆华森制药股份有限公司 2022-08-02 CN disclosed
CN-114786673-A CDK inhibitors and their use as medicaments 普莱鲁德疗法有限公司 2022-07-22 CN disclosed
WO-2022155172-A1 PEPTIDE CONJUGATES OF THERAPEUTICS Cybrexa 3, Inc. (US) 2022-07-21 WO disclosed
EP-3464298-B1 PRECURSOR BASED METHOD OF SYNTHESIS AND FABRICATION OF HYBRID LIGHTING PHOSPHORS WITH HIGH QUANTUM EFFICIENCY, AND SIGNIFICANTLY ENHANCED THERMAL AND PHOTOSTABILITY UNIV RUTGERS (US) 2022-07-06 EP disclosed
CN-114420633-A Copper deposition in wafer level packaging of integrated circuits 麦克德米德乐思公司 2022-04-29 CN disclosed
WO-2022074072-A2 REGULATORS OF CELL DIVISION Technische Universität Dresden (DE) 2022-04-14 WO disclosed
CN-111334292-B Triblock multi-color luminescent organic micro-nano crystal and preparation and application thereof 苏州大学 2022-04-01 CN disclosed
CN-111394093-B One-dimensional core-shell triblock multi-color luminescent organic micro-nano crystal and preparation and application thereof 苏州大学 2022-04-01 CN disclosed
CN-114173772-A Inhibitors of CD40-CD154 binding 托尼克斯医药控股公司 2022-03-11 CN disclosed
CN-114173772-A Inhibitors of CD40-CD154 binding 托尼克斯医药控股公司 2022-03-11 CN disclosed
CN-109037448-B Method for controllably preparing organic semiconductor nanowire under synergistic effect 苏州大学 2022-03-11 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 CYP2A6 4624/4885CYP3A4 4570/4885ALDH1A1 4692/4885
US-11518933-B2 Precursor based method of synthesis and fabrication of hybrid lighting phosphors with high quantum efficiency, and significantly enhanced thermal and photostability DCX, ZKSCAN2, CAD CYP2A6 3569/4885CYP3A4 3563/4885ALDH1A1 2391/4885
US-20260103444-A1 8-HYDROXYQUINOLINE COMPOUND AND USE THEREOF MYLK2, MYLK, ATP2A1 CYP2A6 1255/4885CYP3A4 2247/4885ALDH1A1 2735/4885
US-12503436-B2 Compounds and compositions for treating conditions associated with STING activity STING1, CGAS, IRF3 CYP2A6 4154/4885CYP3A4 4780/4885ALDH1A1 4654/4885
US-20250092040-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 CYP2A6 4624/4885CYP3A4 4570/4885ALDH1A1 4692/4885
US-11999730-B1 AKT1 modulators AKT1S1, AKT1, AKT2 CYP2A6 4624/4885CYP3A4 4570/4885ALDH1A1 4692/4885
US-20240174667-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 CYP2A6 4624/4885CYP3A4 4570/4885ALDH1A1 4692/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.