SCHEMBL3275907

SCHEMBL3275907

Cn1c(CCNC(=O)c2ccc3ncccc3n2)nc(-c2ccncn2)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CBLB Q13191 1/20 0.38
CYP3A4 P08684 1/20 0.37
COPS5 Q92905 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL15673525 0.85 GSK3B (0.39) GSK3BCYP2D6
SCHEMBL3274219 0.82 GSK3B (0.49) GSK3BNPC1RAB9ACYP2D6
SCHEMBL3274906 0.80 GSK3B (0.42) GSK3BCYP3A4CYP2D6
SCHEMBL3145032 0.79 GSK3B (0.41) GSK3BCBLBCYP3A4CYP2D6
SCHEMBL3273819 0.79 GAA (0.53) GSK3BNPC1RAB9ACYP2D6
SCHEMBL3275008 0.77 RECQL (0.44) GSK3BCYP2D6
SCHEMBL15673522 0.76 GSK3B (0.45) GSK3BCYP2D6
SCHEMBL3275516 0.75 GSK3B (0.42) GSK3BCYP2D6
SCHEMBL3275205 0.75 GSK3B (0.41) GSK3BNPC1RAB9ACYP2D6
SCHEMBL3273975 0.75 GSK3B (0.47) GSK3BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160387-B1 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI SA (FR) 2014-05-14 EP claimed
EP-2160387-A2 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS Sanofi-Aventis (FR) 2010-03-10 EP claimed
WO-2008155668-A2 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-24 WO claimed
EP-1992624-A1 Heteroarylamide pyrimidone compounds Sanofi-Aventis (FR) 2008-11-19 EP claimed
EP-2160387-B1 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI SA (FR) 2014-05-14 EP disclosed
US-8592437-B2 Heteroarylamide pyrimidone compounds SANOFI (FR) 2013-11-26 US disclosed
US-20100087449-A1 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2010-04-08 US disclosed
EP-2160387-A2 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS Sanofi-Aventis (FR) 2010-03-10 EP disclosed
WO-2008155668-A2 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-24 WO disclosed
EP-1992624-A1 Heteroarylamide pyrimidone compounds Sanofi-Aventis (FR) 2008-11-19 EP 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 (1 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-20100087449-A1 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS DHFR, DPYD, HPRT1 GSK3B 2561/4885NPC1 725/4885RAB9A 1993/4885

“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.