SCHEMBL2760432

SCHEMBL2760432

CC(C)c1cncc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
CDK2 P24941 1/20 0.44
GRM4 Q14833 1/20 0.33
HSP90AA1 P07900 1/20 0.32
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL30354636 1.00 NOS3 (0.48) NOS3NOS1NOS2CDK2GRM4
SCHEMBL4422443 0.84 CDK2 (0.43) NOS3NOS1NOS2CDK2GRM4
SCHEMBL31226663 0.84 CDK2 (0.43) NOS3NOS1NOS2CDK2GRM4
SCHEMBL31226309 0.84 CDK2 (0.43) NOS3NOS1NOS2CDK2GRM4
SCHEMBL31226557 0.84 CDK2 (0.43) NOS3NOS1NOS2CDK2GRM4
SCHEMBL1106488 0.82 NOS3 (0.36) NOS3NOS1NOS2
SCHEMBL22426961 0.79 CDK2 (0.39) NOS3NOS1NOS2CDK2GRM4
SCHEMBL24016972 0.77 CDK2 (0.38) NOS3NOS1NOS2CDK2KCNH2
SCHEMBL3953232 0.76 CDK2 (0.44) NOS3NOS1NOS2CDK2GRM4
SCHEMBL15664878 0.76 CDK2 (0.44) NOS3NOS1NOS2CDK2GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360120-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2024-10-31 US disclosed
EP-3938358-B1 RAD51 INHIBITORS CYTEIR THERAPEUTICS INC (US) 2024-10-02 EP disclosed
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 US disclosed
CN-114072390-B RAD51 inhibitors 赛泰尔治疗公司 2024-06-11 CN disclosed
WO-2024073587-A1 N-ACRYLOYLMORPHOLINE DERIVATIVES AS KEAP1 MODULATORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
US-11932636-B2 RAD51 inhibitors CYTEIR THERAPEUTICS, INC. (US) 2024-03-19 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-20220259198-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2022-08-18 US disclosed
WO-2016057798-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-04-14 WO disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
WO-2010052569-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2010-05-14 WO 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 (13 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 NOS3 3046/4885NOS1 3205/4885NOS2 2387/4885
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 NOS3 585/4885NOS1 682/4885NOS2 617/4885
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES MTOR, PIK3CA, PIK3CD NOS3 1368/4885NOS1 2251/4885NOS2 2323/4885
US-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 NOS3 503/4885NOS1 514/4885NOS2 990/4885
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS NOS3 3766/4885NOS1 3782/4885NOS2 3967/4885
US-20220259198-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L NOS3 4221/4885NOS1 3459/4885NOS2 3910/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NOS3 294/4885NOS1 281/4885NOS2 300/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 NOS3 1475/4885NOS1 1320/4885NOS2 1527/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 NOS3 520/4885NOS1 556/4885NOS2 1074/4885
US-20240226114-A1 INHIBITORS AND USES THEREOF KEAP1, NQO1, NFE2L2 NOS3 1318/4885NOS1 1279/4885NOS2 1075/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 NOS3 2490/4885NOS1 2425/4885NOS2 2495/4885
US-20240360120-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L NOS3 4221/4885NOS1 3459/4885NOS2 3910/4885
US-11932636-B2 RAD51 inhibitors RAD51, MRE11, RAD54L NOS3 4221/4885NOS1 3459/4885NOS2 3910/4885

“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.