SCHEMBL1551085

SCHEMBL1551085

O=C1CC=Cc2ncccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 5/20 0.41
CDC25B P30305 3/20 0.41
TDP2 O95551 3/20 0.41
NSD2 O96028 3/20 0.41
PAX8 Q06710 3/20 0.41
ABL1 P00519 1/20 0.41
PLCG1 P19174 1/20 0.41
CES1 P23141 1/20 0.41
RIN1 Q13671 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
PTPRC P08575 2/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
PTPN13 Q12923 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33

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
Hydrochloric Acid SCHEMBL4430521 0.98 S100A4 (0.40) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL29234930 0.98 S100A4 (0.40) S100A4CDC25BTDP2NSD2PAX8
Hydrochloric Acid SCHEMBL4436443 0.98 S100A4 (0.40) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL28803385 0.78 S100A4 (0.61) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL27579850 0.77 S100A4 (0.33) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL26512086 0.74 CDC25B (0.39) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL9806078 0.73 TDP2 (0.41) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL13281750 0.73 PLK4 (0.32)
SCHEMBL18892559 0.73 S100A4 (0.33) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL22013897 0.71 CDC25B (0.63) S100A4CDC25BTDP2NSD2PAX8

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 89 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025120200-A1 NEW ANTI-INFECTIVE TRICYCLIC SPIROLACTAMS COMPOUNDS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2025-06-12 WO claimed
CN-119350239-A 5-Quinoline penta-2, 4-diene amide derivative and preparation method and application thereof 常熟理工学院 2025-01-24 CN claimed
CN-114891011-B Preparation method of medical intermediate 2-amino-tetrahydropyran [3,2-c ] quinoline-5-one derivative 南京苏亦欣医药科技有限公司 2025-01-17 CN claimed
CN-118530733-A Heterocyclic liquid crystal material and application thereof 华为技术有限公司 2024-08-23 CN claimed
CN-118530732-A Isothiocyanate liquid crystal material and application thereof 华为技术有限公司 2024-08-23 CN claimed
EP-4392425-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF Impact Therapeutics (Shanghai), Inc. (CN) 2024-07-03 EP claimed
WO-2023025307-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS (SHANGHAI) , INC (CN) 2023-03-02 WO claimed
EP-2817308-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES AbbVie Inc. (US) 2014-12-31 EP claimed
CN-103494806-A Application and preparation method of benzo alpha-pyrone compounds UNIV SUN YAT SEN 2014-01-08 CN claimed
WO-2013126656-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-08-29 WO claimed
EP-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP claimed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO claimed
EP-1943247-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-07-16 EP claimed
EP-1931635-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-06-18 EP claimed
WO-2007023245-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO claimed
WO-2007023290-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO claimed
WO-2007023242-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO claimed
EP-1692138-A1 PYRANO-QUINOLINES, PYRANO-QUINOLINONES, COMBINATIONS THEREOF, PHOTOCHROMIC COMPOSITIONS AND ARTICLES TRANSITIONS OPTICAL, INC. (US) 2006-08-23 EP claimed
WO-2005061514-A1 PYRANO-QUINOLINES, PYRANO-QUINOLINONES, COMBINATIONS THEREOF, PHOTOCHROMIC COMPOSITIONS AND ARTICLES TRANSITIONS OPTICAL, INC. (US) 2005-07-07 WO claimed
WO-2025120200-A1 NEW ANTI-INFECTIVE TRICYCLIC SPIROLACTAMS COMPOUNDS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2025-06-12 WO disclosed
EP-4543437-A1 3-?HSD1 INHIBITORS AND COMPOSITIONS AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2025-04-30 EP disclosed
CN-119569751-A Compound, liquid crystal composition and application thereof 华为技术有限公司 2025-03-07 CN disclosed
CN-119350239-A 5-Quinoline penta-2, 4-diene amide derivative and preparation method and application thereof 常熟理工学院 2025-01-24 CN disclosed
CN-114891011-B Preparation method of medical intermediate 2-amino-tetrahydropyran [3,2-c ] quinoline-5-one derivative 南京苏亦欣医药科技有限公司 2025-01-17 CN disclosed
CN-114891011-B Preparation method of medical intermediate 2-amino-tetrahydropyran [3,2-c ] quinoline-5-one derivative 南京苏亦欣医药科技有限公司 2025-01-17 CN disclosed
CN-119176798-A Dihydropyrimidinone-coumarin derivative and preparation method thereof 宜春学院 2024-12-24 CN disclosed
CN-118696036-A PARP1 inhibitors 突触活化疗法股份有限公司 2024-09-24 CN disclosed
CN-118530733-A Heterocyclic liquid crystal material and application thereof 华为技术有限公司 2024-08-23 CN disclosed
CN-118530732-A Isothiocyanate liquid crystal material and application thereof 华为技术有限公司 2024-08-23 CN disclosed
CN-118451068-A Tri-fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed
EP-4392425-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF Impact Therapeutics (Shanghai), Inc. (CN) 2024-07-03 EP disclosed
CN-113677680-B EGFR inhibitor, composition and application thereof 贝达药业股份有限公司 2024-05-10 CN disclosed
CN-117362368-A Macrolide-quinolone derivative and preparation method and application thereof 北京理工大学 2024-01-09 CN disclosed
WO-2023250480-A1 3-βHSD1 INHIBITORS AND COMPOSITIONS AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2023-12-28 WO disclosed
CN-113563323-B Benzothiazolyl biaryl compound, preparation method and application 上海凌达生物医药有限公司 2023-12-01 CN disclosed
CN-116425744-A Piperazine-containing ring derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof 优领医药科技(香港)有限公司 2023-07-14 CN disclosed
US-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE SHANGHAI RINGENE THERAPEUTICS CO. LTD (CN) 2023-06-08 US disclosed
EP-4144732-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE Shanghai Ringene BioPharma Co., Ltd. (CN) 2023-03-08 EP disclosed
WO-2023025307-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS (SHANGHAI) , INC (CN) 2023-03-02 WO disclosed
US-11512095-B2 BCL6 inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-11-29 US disclosed
CN-115087486-A Substituted bicyclic and tricyclic ureas and amides, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2022-09-20 CN disclosed
CN-114891011-A Preparation method of medical intermediate 2-amino-tetrahydropyrano [3, 2-c ] quinoline-5-ketone derivative 南京苏亦欣医药科技有限公司 2022-08-12 CN disclosed
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS Frequency Therapeutics, Inc. (US) 2022-05-05 US disclosed
EP-3887478-A1 COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2021-10-06 EP disclosed
CN-113166639-A Compounds for electronic devices 默克专利有限公司 2021-07-23 CN disclosed
CN-112485355-A Method for detecting purity of 3-chloromethyl-1, 2, 4-triazoline-5-one 中山奕安泰医药科技有限公司 2021-03-12 CN disclosed
WO-2020125403-A1 PHARMACEUTICAL COMPOSITION 江苏先声药业有限公司 2020-06-25 WO disclosed
EP-3331581-A1 MECHANOPHORIC MEDICAL PRODUCT Aesculap AG (DE) 2018-06-13 EP disclosed
CN-105636438-A Pharmaceutical composition comprising an AMPK activator and a serotonin active agent and uses thereof CHEN JIANHONG 2016-06-01 CN disclosed
CN-104271576-A Pyridopyrimidinone inhibitors of kinases ABBVIE INC 2015-01-07 CN disclosed
EP-2817308-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES AbbVie Inc. (US) 2014-12-31 EP disclosed
CN-103524492-A Quinolones compound with side chain containing nitroimidazole group substitution as well as preparation and use thereof UNIV CHINA PHARMA 2014-01-22 CN disclosed
CN-103494806-A Application and preparation method of benzo alpha-pyrone compounds UNIV SUN YAT SEN 2014-01-08 CN disclosed
US-8580840-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-11-12 US disclosed
CN-103313968-A Nampt and rock inhibitors ABBVIE LAB 2013-09-18 CN disclosed
WO-2013126656-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-08-29 WO disclosed
CN-102592040-A Drug discovery method KEDDEM BIO SCIENCE LTD 2012-07-18 CN disclosed
US-20110178106-A1 5-QUINOLINONE AND IMIDAZOPYRIDINE COMPOUNDS AND USE THEREOF SOUTHERN RESEARCH INSTITUTE OFFICE OF COMMERCIALIZ (US) 2011-07-21 US disclosed
US-20110178106-A1 5-QUINOLINONE AND IMIDAZOPYRIDINE COMPOUNDS AND USE THEREOF SOUTHERN RESEARCH INSTITUTE OFFICE OF COMMERCIALIZ (US) 2011-07-21 US disclosed
CN-102088852-A 5-quinolinone and imidazopyridine compounds and use thereof SOUTHERN RES INST 2011-06-08 CN disclosed
CN-102088852-A 5-quinolinone and imidazopyridine compounds and use thereof SOUTHERN RES INST 2011-06-08 CN disclosed
CN-102088852-A 5-quinolinone and imidazopyridine compounds and use thereof SOUTHERN RES INST 2011-06-08 CN disclosed
EP-2312948-A1 5-QUINOLINONE AND IMIDAZOPYRIDINE COMPOUNDS AND USE THEREOF Southern Research Institute (US) 2011-04-27 EP disclosed
EP-2312948-A1 5-QUINOLINONE AND IMIDAZOPYRIDINE COMPOUNDS AND USE THEREOF Southern Research Institute (US) 2011-04-27 EP disclosed
US-20110077154-A1 Substituted pyridin-4-yl-methyl sulfonamides as fungicides BASF SE (DE) 2011-03-31 US disclosed
US-20100210658-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2010-08-19 US disclosed
WO-2010006251-A1 5-QUINOLINONE AND IMIDAZOPYRIDINE COMPOUNDS AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2010-01-14 WO disclosed
WO-2010006251-A1 5-QUINOLINONE AND IMIDAZOPYRIDINE COMPOUNDS AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2010-01-14 WO disclosed
EP-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
EP-1819676-A4 5-PHENYL-5,6,7,8-HYDROQUINOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-15 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
US-20080009518-A1 5-Phenyl-5,6,7,8-Hydroquinoline Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
EP-1819676-A2 5-PHENYL-5,6,7,8-HYDROQUINOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-08-22 EP disclosed
EP-1723116-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co. KGaA (DE) 2006-11-22 EP disclosed
EP-1692138-A1 PYRANO-QUINOLINES, PYRANO-QUINOLINONES, COMBINATIONS THEREOF, PHOTOCHROMIC COMPOSITIONS AND ARTICLES TRANSITIONS OPTICAL, INC. (US) 2006-08-23 EP disclosed
WO-2006060344-A2 5-PHENYL-5,6,7,8-HYDROQUINOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-06-08 WO disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO disclosed
WO-2005061514-A1 PYRANO-QUINOLINES, PYRANO-QUINOLINONES, COMBINATIONS THEREOF, PHOTOCHROMIC COMPOSITIONS AND ARTICLES TRANSITIONS OPTICAL, INC. (US) 2005-07-07 WO disclosed
EP-1453544-A2 SELF-EMULSIFYING FORMULATIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2004-09-08 EP disclosed
WO-2003000295-A2 SELF-EMULSIFYING FORMULATIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
EP-0894796-B1 Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists ADIR (FR) 2001-06-06 EP disclosed
EP-0894796-A1 Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists ADIR ET COMPAGNIE (FR) 1999-02-03 EP disclosed
EP-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 EP disclosed
EP-0489379-B1 5-amino-5,6,7,8-tetrahydroquinolines and related compounds, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-07-15 EP disclosed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 WO disclosed
US-5310914-A Imination, reduction HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-05-10 US disclosed
US-5216164-A Used for relieving memory dysfunction such as Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-06-01 US disclosed
EP-0489379-A1 5-amino-5,6,7,8-tetrahydroquinolines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-06-10 EP disclosed
US-5110815-A Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-05 US disclosed
US-5110815-A Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-05 US 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-20110178106-A1 5-QUINOLINONE AND IMIDAZOPYRIDINE COMPOUNDS AND USE THEREOF ABCC5, ABCC1, ABCB1 S100A4 3158/4885CDC25B 2018/4885TDP2 1704/4885
US-20110077154-A1 Substituted pyridin-4-yl-methyl sulfonamides as fungicides CYP4X1, PNPO, PFAS S100A4 3006/4885CDC25B 750/4885TDP2 2428/4885
US-20080009518-A1 5-Phenyl-5,6,7,8-Hydroquinoline Tachykinin Receptor Antagonists TACR1, HTR5A, TACR2 S100A4 4747/4885CDC25B 3770/4885TDP2 2732/4885
US-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE KRAS, NRAS, HRAS S100A4 3454/4885CDC25B 851/4885TDP2 2067/4885
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS WNT3A, WNT1, WNT3 S100A4 1459/4885CDC25B 4859/4885TDP2 2646/4885
US-11512095-B2 BCL6 inhibitors BCL6, BCL6B, BCL3 S100A4 4400/4885CDC25B 484/4885TDP2 4017/4885
US-20100210658-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG S100A4 4171/4885CDC25B 2652/4885TDP2 4573/4885

“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.