SCHEMBL3274906

SCHEMBL3274906

COc1ncccc1C(=O)NCCc1nc(-c2ccncn2)cc(=O)n1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
CYP2D6 P10635 4/20 0.39
CNR2 P34972 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 3/20 0.38

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
SCHEMBL3159234 0.91 GAA (0.45) GSK3BGAAMAPTKMT2ABRD4
SCHEMBL15673522 0.84 GSK3B (0.45) GSK3BCYP2D6CYP1A2
SCHEMBL3278108 0.83 GSK3B (0.44) GSK3BCYP2D6CNR2CYP3A4CYP1A2
SCHEMBL3280340 0.82 GSK3B (0.42) GSK3BMAPTKMT2ACYP2D6CNR2
SCHEMBL3274941 0.82 GSK3B (0.51) GSK3BMAPTCYP2D6CYP1A2
SCHEMBL3274431 0.82 NPSR1 (0.44) GSK3BGAACYP2D6CNR2CYP3A4
SCHEMBL3275008 0.82 RECQL (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL3274219 0.82 GSK3B (0.49) GSK3BGAAMAPTKMT2ACYP2D6
SCHEMBL3275205 0.82 GSK3B (0.41) GSK3BMAPTMEN1KMT2ACYP2D6
SCHEMBL3274046 0.80 NPC1 (0.49) GSK3BMAPTCYP2D6CNR2CYP1A2

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
US-8592437-B2 Heteroarylamide pyrimidone compounds SANOFI (FR) 2013-11-26 US claimed
US-20100087449-A1 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2010-04-08 US 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 2561/4885GAA 2327/4885MAPT 3116/4885

“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.