SCHEMBL2401430

SCHEMBL2401430

Cn1c(NC2CCCCC2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.67
CDC7 O00311 1/20 0.56
DYRK3 O43781 1/20 0.56
ROCK2 O75116 1/20 0.56
MAP4K4 O95819 1/20 0.56
CDK1 P06493 1/20 0.56
CSF1R P07333 1/20 0.56
PIM1 P11309 1/20 0.56
PRKACA P17612 1/20 0.56
CDK2 P24941 1/20 0.56
MARK3 P27448 1/20 0.56
MAPK1 P28482 1/20 0.56
CSNK1A1 P48729 1/20 0.56
CSNK1D P48730 1/20 0.56
CLK2 P49760 1/20 0.56
GSK3A P49840 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
IRAK1 P51617 1/20 0.56
PLK1 P53350 1/20 0.56

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
SCHEMBL2407214 0.99 GSK3B (0.65) GSK3BCDC7DYRK3ROCK2MAP4K4
SCHEMBL2488656 0.90 GSK3B (0.55) GSK3BCDC7DYRK3ROCK2MAP4K4
SCHEMBL12207742 0.89 GSK3B (0.54) GSK3BCDC7DYRK3ROCK2MAP4K4
SCHEMBL3737463 0.85 GSK3B (0.55) GSK3B
SCHEMBL2489062 0.85 GSK3B (0.51) GSK3BCDC7DYRK3ROCK2MAP4K4
SCHEMBL2490246 0.84 GSK3B (0.60) GSK3B
SCHEMBL2490520 0.84 GSK3B (0.52) GSK3BCDC7DYRK3ROCK2MAP4K4
SCHEMBL2488457 0.84 GSK3B (0.52) GSK3B
SCHEMBL2485441 0.83 GSK3B (0.49) GSK3BCDC7DYRK3ROCK2MAP4K4
SCHEMBL2403115 0.83 GSK3B (0.56) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4778657-B2 2011-09-21 JP claimed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US claimed
EP-1276738-B8 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI AVENTIS (FR) 2008-02-20 EP claimed
EP-1276738-B1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI AVENTIS (FR) 2007-12-12 EP claimed
CN-1891220-A Use of 2-amino-3-alkylpyrimidinone derivatives for producing medicaments SANOFI SYNTHELABO (FR) 2007-01-10 CN claimed
CN-1247567-C 2-amino-3-alkylpyrimidinone derivatives as GSK3 beta inhibitors SANOFI AVENTIS (FR) 2006-03-29 CN claimed
US-20050130998-A1 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI (FR) 2005-06-16 US claimed
US-6844335-B2 2-amino-3-(alkyl)-pyrimidone derivatives as GSK3.β.inhibitors SANOFI-SYNTHELABO (FR) 2005-01-18 US claimed
US-20030187004-A1 2-Amino-3-(alkyl)-pyrimidone derivatives as gsk3.beta. inhibitors SANOFI (FR) 2003-10-02 US claimed
EP-1276738-A1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS Sanofi-Aventis (FR) 2003-01-22 EP claimed
WO-2001070729-A1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI-SYNTHELABO (FR) 2001-09-27 WO claimed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US disclosed
EP-1276738-B1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI AVENTIS (FR) 2007-12-12 EP disclosed
CN-1891220-A Use of 2-amino-3-alkylpyrimidinone derivatives for producing medicaments SANOFI SYNTHELABO (FR) 2007-01-10 CN disclosed
CN-1247567-C 2-amino-3-alkylpyrimidinone derivatives as GSK3 beta inhibitors SANOFI AVENTIS (FR) 2006-03-29 CN disclosed
US-20050130998-A1 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI (FR) 2005-06-16 US disclosed
US-6844335-B2 2-amino-3-(alkyl)-pyrimidone derivatives as GSK3.β.inhibitors SANOFI-SYNTHELABO (FR) 2005-01-18 US disclosed
US-20030187004-A1 2-Amino-3-(alkyl)-pyrimidone derivatives as gsk3.beta. inhibitors SANOFI (FR) 2003-10-02 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 (2 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-20050130998-A1 2-amino-3-(alkyl)-pyrimidone derivatives GSK3A, GSK3B, PSEN2 GSK3B 2/4885CDC7 2083/4885DYRK3 1158/4885
US-20030187004-A1 2-Amino-3-(alkyl)-pyrimidone derivatives as gsk3.beta. inhibitors GSK3A, GSK3B, CSNK2A3 GSK3B 2/4885CDC7 701/4885DYRK3 775/4885

“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.