SCHEMBL159386

SCHEMBL159386

[c]1ncc2c(n1)CCCC2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
GRM5 P41594 1/20 0.31
GAA P10253 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL152157 0.98 CDK5 (0.32) CDK5CDK5R1SIGMAR1CCNA2CDK2
SCHEMBL4148663 0.98 CDK5 (0.32) CDK5CDK5R1SIGMAR1CCNA2CDK2
SCHEMBL558013 0.95
SCHEMBL1593106 0.71 HTR2C (0.41) ADRA2AADRA2BADRA2C
SCHEMBL557652 0.71 PLK1 (0.41) GRM5
SCHEMBL190720 0.71 POLB (0.39) ADRA2AADRA2BADRA2C
SCHEMBL3341697 0.67 NNMT (0.38)
SCHEMBL22694432 0.67
SCHEMBL4141897 0.67 OR51E2 (0.32)
SCHEMBL910531 0.67

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

Appears in 3056 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240051985-A1 METTL3 MODULATORS ACCENT THERAPEUTICS INC (US) 2024-02-15 US claimed
CN-117098767-A METTL3 modulators 埃克森特治疗公司 2023-11-21 CN claimed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN claimed
EP-3475262-B1 BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASE, CARDIOVASCULAR DISEASES AND FIBROTIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2021-03-24 EP claimed
US-10858342-B2 Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-08 US claimed
US-20200109131-A1 BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASES, CARDIOVASCULAR DISEASES AND FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-09 US claimed
EP-3475262-A1 BICYCLIC IMIDAZOLE DERIVATIES USEFUL FOR THE TREATMENT OF RENAL DISEASE, CARDIOVASCULAR DISEASES AND FIBROTIC DISORDERS Boehringer Ingelheim International GmbH (DE) 2019-05-01 EP claimed
WO-2018005177-A1 BICYCLIC IMIDAZOLE DERIVATIES USEFUL FOR THE TREATMENT OF RENAL DISEASE, CARDIOVASCULAR DISEASES AND FIBROTIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-04 WO claimed
EP-2855471-B1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-11-15 EP claimed
US-20170050970-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2017-02-23 US claimed
WO-2008112913-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2008-09-18 WO claimed
WO-2008069997-A1 SUBSTITUTED DIAZEPAN COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-12 WO claimed
US-20080132490-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME LLC 2008-06-05 US claimed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO claimed
JP-2007534719-A 2007-11-29 JP claimed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 US claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US claimed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP claimed