SCHEMBL2401436

SCHEMBL2401436

NCCCCCCNc1nc(-c2ccncc2)cc(=O)n1CCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.61
CYP2C9 P11712 1/20 0.41

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
SCHEMBL5038561 0.99 GSK3B (0.62) GSK3BCYP2C9
SCHEMBL5096032 0.96 GSK3B (0.61) GSK3B
SCHEMBL5105229 0.96 GSK3B (0.61) GSK3B
SCHEMBL5045497 0.95 GSK3B (0.62) GSK3B
SCHEMBL2403941 0.95 GSK3B (0.62) GSK3B
SCHEMBL5104876 0.95 GSK3B (0.62) GSK3B
SCHEMBL5041737 0.94 GSK3B (0.64) GSK3B
SCHEMBL5561339 0.94 GSK3B (0.64) GSK3B
SCHEMBL5104968 0.93 GSK3B (0.69) GSK3B
SCHEMBL5098141 0.93 GSK3B (0.69) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4778657-B2 2011-09-21 JP 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
EP-1751141-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 Aventis Pharma S.A. (FR) 2007-02-14 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
WO-2005111019-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 AVENTIS PHARMA S.A. (FR) 2005-11-24 WO 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 2/4885CYP2C9 2538/4885
US-20030187004-A1 2-Amino-3-(alkyl)-pyrimidone derivatives as gsk3.beta. inhibitors GSK3A, GSK3B, CSNK2A3 GSK3B 2/4885CYP2C9 3868/4885

“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.