SCHEMBL11489

SCHEMBL11489

Cc1c[nH]c2cc(Br)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.55
ATM Q13315 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
IMPDH2 P12268 1/20 0.50
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
SLC6A4 P31645 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
GPR183 P32249 1/20 0.43
CLK1 P49759 2/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43

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
SCHEMBL29696119 1.00 CYP2A6 (0.55) CYP2A6ATMCHRNB2CHRNA7CHRNA4
SCHEMBL30633712 0.85 CYP2A6 (0.53) CYP2A6CHRNB2CHRNA7CHRNA4IMPDH2
SCHEMBL1542423 0.83 GPR84 (0.58) ATMSLC6A4GPR84IDO1NR4A2
SCHEMBL29555842 0.78 ATM (0.56) ATMIDO1NR4A2
SCHEMBL30019124 0.78 CYP2A6 (0.58) CYP2A6CHRNB2CHRNA7CHRNA4IMPDH2
SCHEMBL12352 0.78 ATM (0.56) ATMIDO1NR4A2
SCHEMBL2550995 0.75 KDM4E (0.56) ATMSLC6A4PDPK1
SCHEMBL21291503 0.75 CYP2A6 (0.55) CYP2A6CHRNB2CHRNA7CHRNA4IMPDH2
SCHEMBL14158708 0.75 CYP2A6 (0.55) CYP2A6CHRNB2CHRNA7CHRNA4IMPDH2
SCHEMBL22777931 0.75 CYP2A6 (0.55) CYP2A6CHRNB2CHRNA7CHRNA4IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF EPIVARIO, INC. 2025-06-12 US disclosed
CN-115427035-B ENL/AF9 YEATS inhibitors 洛克菲勒大学 2025-04-22 CN disclosed
US-20250002471-A1 6-SUBSTITUTED INDOLE COMPOUNDS GILEAD SCIENCES, INC. 2025-01-02 US disclosed
CN-118946574-A Indole-functionalized biphosphinamides, method for the production thereof and rhodium-ligand complexes 陶氏环球技术有限责任公司 2024-11-12 CN disclosed
US-12133852-B2 ACSS2 inhibitors and methods of use thereof EPIVARIO, INC. (US) 2024-11-05 US disclosed
US-20240360095-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2024-10-31 US disclosed
WO-2024114782-A1 SMALL-MOLECULE MODULATORS OF SPIKE PROTEIN NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-06-06 WO disclosed
US-20240059673-A1 SUBSTITUTED INDOLE COMPOUNDS GILEAD SCIENCES, INC. 2024-02-22 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
EP-4267560-A1 6-SUBSTITUTED INDOLE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-01 EP disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 US disclosed
US-20110118257-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS SA (CH) 2011-05-19 US disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed
WO-2010051206-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010047982-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-29 WO disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed
CN-101063110-A Culture medium and method for architectonic stem cell UNIV SHANGHAI JIAOTONG (CN) 2007-10-31 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 (9 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-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 CYP2A6 3751/4885ATM 196/4885CHRNB2 3075/4885
US-20240360095-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB CYP2A6 4398/4885ATM 355/4885CHRNB2 2237/4885
US-20250002471-A1 6-SUBSTITUTED INDOLE COMPOUNDS SSB, IDO1, IDO2 CYP2A6 592/4885ATM 2144/4885CHRNB2 4697/4885
US-20240059673-A1 SUBSTITUTED INDOLE COMPOUNDS SSB, IDO1, IDO2 CYP2A6 1464/4885ATM 2204/4885CHRNB2 4723/4885
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 CYP2A6 3116/4885ATM 377/4885CHRNB2 4295/4885
US-20110118257-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB CYP2A6 4398/4885ATM 355/4885CHRNB2 2237/4885
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 CYP2A6 3116/4885ATM 377/4885CHRNB2 4295/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A CYP2A6 3540/4885ATM 392/4885CHRNB2 1344/4885
US-12133852-B2 ACSS2 inhibitors and methods of use thereof ACSS2, GLS2, ADSS2 CYP2A6 3751/4885ATM 196/4885CHRNB2 3075/4885

“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.