SCHEMBL3274046

SCHEMBL3274046

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GSK3B P49841 8/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
MCHR1 Q99705 2/20 0.39
KDR P35968 2/20 0.38
TEK Q02763 2/20 0.38
CNR2 P34972 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 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
SCHEMBL3274817 0.95 NPC1 (0.47) NPC1RAB9AGSK3BMAPTTP53
SCHEMBL3277980 0.92 NPC1 (0.42) NPC1RAB9AGSK3BKDRTEK
SCHEMBL3274941 0.89 GSK3B (0.51) NPC1RAB9AGSK3BMAPTCYP2D6
SCHEMBL3280340 0.87 GSK3B (0.42) GSK3BMAPTTP53CNR2CYP2D6
SCHEMBL3275205 0.83 GSK3B (0.41) NPC1RAB9AGSK3BMAPTTP53
SCHEMBL3278108 0.83 GSK3B (0.44) GSK3BCNR2CYP2D6CYP1A2
SCHEMBL3274431 0.82 NPSR1 (0.44) GSK3BCNR2CYP2D6CYP1A2
SCHEMBL3275008 0.82 RECQL (0.44) GSK3BTP53CYP2D6CYP1A2
SCHEMBL3274308 0.82 HTR4 (0.48) RAB9AGSK3BCYP2D6CYP1A2
SCHEMBL3273802 0.81 TP53 (0.40) GSK3BMAPTTP53

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 12 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
EP-2160388-A2 ARYLAMIDE PYRIMIDONE COMPOUNDS Sanofi-Aventis (FR) 2010-03-10 EP claimed
WO-2008155670-A2 ARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-24 WO claimed
EP-1992620-A1 Arylamide pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 EP claimed
EP-1992625-A1 Arylamide pyrimidone compounds Sanofi-Aventis (FR) 2008-11-19 EP 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
EP-1992625-A1 Arylamide 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-20100087461-A1 ARYLAMIDE PYRIMIDONE COMPOUNDS DHFR, HPRT1, XDH NPC1 695/4885RAB9A 2039/4885GSK3B 3294/4885

“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.