SCHEMBL745730

SCHEMBL745730

O=c1ccc2cnc[nH]c-2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ASIC3 Q9UHC3 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
BTK Q06187 1/20 0.33
KMT2A Q03164 1/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FKBP5 Q13451 1/20 0.32
HPGD P15428 1/20 0.32

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 SCHEMBL6225223 0.98 IDO1 (0.40) IDO1POLBSMN1; SMN2ASIC3CYP11B1
SCHEMBL5794794 0.76 IDO1 (0.41) IDO1POLBSMN1; SMN2ASIC3CYP11B1
SCHEMBL15826247 0.71 BTK (0.51) SMN1; SMN2CYP11B1CYP3A4CYP2E1CYP2D6
SCHEMBL6436382 0.69 NISCH (0.41) POLBSMN1; SMN2MAPTBTKKMT2A
SCHEMBL64926 0.68
SCHEMBL5516559 0.68 ALDH1A1 (0.33) IDO1CYP3A4MAPTALDH1A1FKBP5
SCHEMBL7500298 0.67 CYP3A4 (0.42) IDO1POLBSMN1; SMN2ASIC3CYP3A4
Hydrochloric Acid SCHEMBL311521 0.67 CYP3A4 (0.42) IDO1POLBSMN1; SMN2ASIC3CYP3A4
SCHEMBL30945055 0.67 CYP3A4 (0.42) IDO1POLBSMN1; SMN2ASIC3CYP3A4
Hydrochloric Acid SCHEMBL310787 0.67 CYP3A4 (0.42) IDO1POLBSMN1; SMN2ASIC3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150111896-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-23 US claimed
US-8404695-B2 Pyrimidinyl pyridone inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-03-26 US claimed
US-20110224227-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-15 US claimed
US-20110224221-A1 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS NORTH CAROLINA AT CHAPEL HILL, THE UNIVERSITY OF 2011-09-15 US claimed
EP-2341906-A2 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS The University of North Carolina At Chapel Hill (US) 2011-07-13 EP claimed
EP-2341911-A2 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS The University of North Carolina At Chapel Hill (US) 2011-07-13 EP claimed
WO-2010039997-A9 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-05 WO claimed
JP-4524072-B2 2010-08-11 JP claimed
WO-2010051127-A2 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-05-06 WO claimed
WO-2010039997-A2 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-04-08 WO claimed
WO-2008150260-A1 8-OXY-2-AMINOPYRIDO (2, 3-D) PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND ANTICANCER AGENTS GPC BIOTECH, INC. (US) 2008-12-11 WO claimed
EP-1333833-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-10-24 EP claimed
EP-1831215-A1 PYRIDO[2,3-D]PYRIMIDINES AS ANTI-INFLAMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2007-09-12 EP claimed
WO-2006056863-A1 PYRIDO’2, 3-D!PYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-06-01 WO claimed
US-20050009849-A1 Pyridopyrimidine kinase inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2005-01-13 US claimed
EP-1470124-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES Warner-Lambert Company LLC (US) 2004-10-27 EP claimed
EP-1333833-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2003-08-13 EP claimed
WO-2003062236-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO[2,3d]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 WO claimed
WO-2002059083-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-01 WO claimed
EP-1097709-A2 Use of corticotropin releasing factor antagonists for treating syndrome X Pfizer Products Inc. (US) 2001-05-09 EP claimed

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-20050009849-A1 Pyridopyrimidine kinase inhibitors MAP3K1, MAP3K19, MAP3K20 IDO1 1511/4885POLB 1696/4885SMN1; SMN2 2902/4885
US-20110224227-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK6, CDK4, CDKN1A IDO1 2549/4885POLB 1768/4885SMN1; SMN2 3156/4885
US-20110224221-A1 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK4, CDK6, CDKN1A IDO1 2092/4885POLB 1523/4885SMN1; SMN2 4180/4885
US-20150111896-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK6, CDK4, CDKN1A IDO1 2549/4885POLB 1768/4885SMN1; SMN2 3156/4885

“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.