SCHEMBL2403033

SCHEMBL2403033

O=c1cc(-c2ccncc2)nc(NCCCc2ccccc2)n1CCO

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.65
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL5098796 0.89 GSK3B (0.65) GSK3B
SCHEMBL5561339 0.88 GSK3B (0.64) GSK3B
SCHEMBL5042132 0.88 GSK3B (0.70) GSK3B
SCHEMBL2403941 0.88 GSK3B (0.62) GSK3B
SCHEMBL5096032 0.87 GSK3B (0.61) GSK3B
SCHEMBL5096017 0.87 GSK3B (0.64) GSK3B
SCHEMBL5105229 0.87 GSK3B (0.61) GSK3B
SCHEMBL2403252 0.86 GSK3B (0.87) GSK3B
SCHEMBL5038561 0.85 GSK3B (0.62) GSK3BCYP2C9
SCHEMBL2401436 0.85 GSK3B (0.61) GSK3BCYP2C9

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 16 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
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-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-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
EP-1276738-A1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS Sanofi-Aventis (FR) 2003-01-22 EP disclosed
WO-2001070729-A1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI-SYNTHELABO (FR) 2001-09-27 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 (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 2538/4885SMN1; SMN2 645/4885
US-20030187004-A1 2-Amino-3-(alkyl)-pyrimidone derivatives as gsk3.beta. inhibitors GSK3A, GSK3B, CSNK2A3 GSK3B 2/4885CYP2C9 3868/4885SMN1; SMN2 1046/4885

“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.