SCHEMBL3274941

SCHEMBL3274941

COc1cc(F)ccc1C(=O)NCCc1nc(-c2ccncn2)cc(=O)n1C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.51
CYP2D6 P10635 6/20 0.47
CYP1A2 P05177 4/20 0.47
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CSNK1A1 P48729 1/20 0.41
GSK3A P49840 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
SCHEMBL3273968 0.91 GSK3B (0.52) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL3280340 0.90 GSK3B (0.42) GSK3BCYP2D6CYP1A2MAPT
SCHEMBL3274046 0.89 NPC1 (0.49) GSK3BCYP2D6CYP1A2NPC1MAPT
SCHEMBL3275516 0.86 GSK3B (0.42) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL3278108 0.85 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL3274817 0.85 NPC1 (0.47) GSK3BCYP2D6CYP1A2NPC1MAPT
SCHEMBL3273819 0.85 GAA (0.53) GSK3BCYP2D6CYP1A2NPC1RAB9A
SCHEMBL3274431 0.84 NPSR1 (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL3274308 0.84 HTR4 (0.48) GSK3BCYP2D6CYP1A2RAB9A
SCHEMBL3275205 0.84 GSK3B (0.41) GSK3BCYP2D6CYP1A2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160388-B1 ARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI SA (FR) 2013-12-18 EP claimed
US-8598187-B2 Arylamide pyrimidone compounds SANOFI (FR) 2013-12-03 US claimed
US-20100087461-A1 ARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2010-04-08 US claimed
EP-2160388-B1 ARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI SA (FR) 2013-12-18 EP disclosed
US-8598187-B2 Arylamide pyrimidone compounds SANOFI (FR) 2013-12-03 US disclosed
US-20100087461-A1 ARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2010-04-08 US disclosed
EP-2160388-A2 ARYLAMIDE PYRIMIDONE COMPOUNDS Sanofi-Aventis (FR) 2010-03-10 EP disclosed
WO-2008155670-A2 ARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-24 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 (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-20100087461-A1 ARYLAMIDE PYRIMIDONE COMPOUNDS DHFR, HPRT1, XDH GSK3B 3294/4885CYP2D6 78/4885CYP1A2 563/4885

“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.