SCHEMBL5506476

SCHEMBL5506476

CNc1ccc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 1.00
CYP1A2 P05177 2/20 0.54
NPC1 O15118 8/20 0.52
RAB9A P51151 8/20 0.52
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NOS2 P35228 1/20 0.48
BACE1 P56817 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
CCR6 P51684 2/20 0.47
CXCR5 P32302 1/20 0.47
APLNR P35414 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CYP3A4 P08684 1/20 0.47

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 SCHEMBL15842393 0.98 NCF1 (0.95) NCF1CYP1A2NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7399656 0.98 NCF1 (0.95) NCF1CYP1A2NPC1RAB9AKDM4E
SCHEMBL10458402 0.83 NCF1 (0.71) NCF1CYP1A2NPC1RAB9AKDM4E
SCHEMBL30760998 0.83 NCF1 (0.71) NCF1CYP1A2NPC1RAB9AKDM4E
SCHEMBL5806618 0.81 NCF1 (0.68) NCF1CYP1A2NPC1RAB9AKDM4E
SCHEMBL12915413 0.80 NCF1 (0.67) NCF1CYP1A2NPC1RAB9AKDM4E
SCHEMBL11671 0.80 NCF1 (0.67) NCF1CYP1A2NPC1RAB9AKDM4E
Isophthalic Acid SCHEMBL27798934 0.80 NCF1 (0.64) NCF1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6645329 0.79 NCF1 (0.65) NCF1CYP1A2NPC1RAB9AKDM4E
SCHEMBL1133878 0.79 NCF1 (0.65) NCF1CYP1A2NPC1RAB9AKDM4E

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 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136781-A ROR 1-targeted inhibitor and synthesis method and application thereof 北京大学 2025-06-13 CN claimed
CN-112390755-B Heteroaryl method for amine 中国科学院理化技术研究所 2024-08-02 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-104620104-B Affinity Reagents for Protein Purification 非凡食品有限公司 2017-03-01 CN claimed
US-12509470-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2025-12-30 US disclosed
CN-120136781-A ROR 1-targeted inhibitor and synthesis method and application thereof 北京大学 2025-06-13 CN disclosed
US-20240245673-A1 Papain-like protease (PLpro) inhibitors PFIZER INC. (US) 2024-07-25 US disclosed
CN-118271197-A Cyclohexylamine derivative, and composition and application thereof 上海京新生物医药有限公司 2024-07-02 CN disclosed
CN-118221644-A Pyrrolidine derivative, composition and application thereof 上海京新生物医药有限公司 2024-06-21 CN disclosed
WO-2024121779-A1 PAPAIN-LIKE PROTEASE (PLPRO) INHIBITORS PFIZER INC. (US) 2024-06-13 WO disclosed
US-12006326-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2024-06-11 US disclosed
US-11952380-B2 Substituted bicyclic heterocyclic compounds as PRMT5 inhibitors LUPIN LIMITED (IN) 2024-04-09 US disclosed
EP-0091790-A2 Process for preparing 2-alkylamino- and 2-amino-5-alkylpyridines REILLY INDUSTRIES, INC. (US) 1983-10-19 EP disclosed
US-4405790-A FROM 3-ALKYLPYRIDINE; SODIUM ALKYLAMIDE REILLY TAR & CHEMICAL CORP. (US) 1983-09-20 US disclosed
US-4242516-A Fluorinated amphoteric surfactants CIBA-GEIGY CORPORATION (US) 1980-12-30 US disclosed
US-4161590-A Fluorinated amphoteric and cationic surfactants CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed
US-4161602-A Fluorinated amphoteric and cationic surfactants containing a pyridinium moiety CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed
US-4069244-A THIO-CARBOXYLIC ACIDS CIBA-GEIGY CORPORATION (US) 1978-01-17 US disclosed
US-4025519-A HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-24 US disclosed
US-3950524-A Hypoglycemic benzenesulfonamido pyrimidines HOECHST AKTIENGESELLSCHAFT (DT) 1976-04-13 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 (4 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-12509470-B2 Antiviral heterocyclic compounds NR3C1, ZC3HAV1, HAVCR2 NCF1 526/4885CYP1A2 2797/4885NPC1 180/4885
US-20240245673-A1 Papain-like protease (PLpro) inhibitors PREP, PEPD, ACE NCF1 3667/4885CYP1A2 831/4885NPC1 1614/4885
US-11952380-B2 Substituted bicyclic heterocyclic compounds as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 NCF1 3660/4885CYP1A2 1181/4885NPC1 2413/4885
US-12006326-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 NCF1 1437/4885CYP1A2 1080/4885NPC1 565/4885

“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.