SCHEMBL3743033

SCHEMBL3743033

CSc1nc(-c2ccncc2)cc(=O)n1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.50
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
CDC7 O00311 1/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 1/20 0.45
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
KDM5B Q9UGL1 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 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
SCHEMBL4089829 0.81 GSK3B (0.46) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL12207252 0.81 GSK3B (0.57) GSK3BCYP1A2CYP2D6
SCHEMBL12207381 0.78 GSK3B (0.52) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL497227 0.78 GSK3B (0.52) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL1673943 0.78 GSK3B (0.52) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL21019936 0.77 MEN1 (0.45) GSK3BMAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL3819113 0.76 GSK3B (0.51) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL19806120 0.75 SYK (0.43) PIK3CA
SCHEMBL2488368 0.74 GSK3B (0.49) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL7385338 0.74 GSK3B (0.59) GSK3BCDC7ROCK2MAP4K4PIM1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
EP-2057141-A1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS Pfizer Products Inc. (US) 2009-05-13 EP disclosed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US disclosed
WO-2008023239-A1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-28 WO disclosed
EP-1276738-B8 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI AVENTIS (FR) 2008-02-20 EP disclosed
EP-1276738-B1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI AVENTIS (FR) 2007-12-12 EP disclosed
US-7049318-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-05-23 US disclosed
EP-1654250-A1 SUBSTITUTED PYRIDONES AND PYRIMIDINONES WITH ANTIINFLAMMATORY PROPERTIES AMGEN INC. (US) 2006-05-10 EP disclosed
US-20050130998-A1 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI (FR) 2005-06-16 US disclosed
WO-2005012286-A1 SUBSTITUTED PYRIDONES AND PYRIMIDINONES WITH ANTIINFLAMMATORY PROPERTIES AMGEN INC. (US) 2005-02-10 WO disclosed
US-20050020592-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-01-27 US disclosed
US-6844335-B2 2-amino-3-(alkyl)-pyrimidone derivatives as GSK3.β.inhibitors SANOFI-SYNTHELABO (FR) 2005-01-18 US disclosed
US-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
US-20030187004-A1 2-Amino-3-(alkyl)-pyrimidone derivatives as gsk3.beta. inhibitors SANOFI (FR) 2003-10-02 US disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
EP-1276738-A1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS Sanofi-Aventis (FR) 2003-01-22 EP disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
WO-2001070729-A1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI-SYNTHELABO (FR) 2001-09-27 WO disclosed
EP-1136482-A1 2-Amino-3-(alkyl)-pyrimidone derivatives as GSK3beta inhibitors SANOFI-SYNTHELABO (FR) 2001-09-26 EP disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 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 (5 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-20050020592-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 GSK3B 205/4885MAPK13 1988/4885MAPK12 1370/4885
US-20050130998-A1 2-amino-3-(alkyl)-pyrimidone derivatives GSK3A, GSK3B, PSEN2 GSK3B 2/4885MAPK13 626/4885MAPK12 358/4885
US-20030187004-A1 2-Amino-3-(alkyl)-pyrimidone derivatives as gsk3.beta. inhibitors GSK3A, GSK3B, CSNK2A3 GSK3B 2/4885MAPK13 313/4885MAPK12 162/4885
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885MAPK13 764/4885MAPK12 564/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A GSK3B 2369/4885MAPK13 1577/4885MAPK12 1127/4885

“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.