SCHEMBL927540

SCHEMBL927540

COc1ccc(CNC2COCCn3c2nc(-c2ccncc2)cc3=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 4/20 0.40
GSK3B P49841 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
ACP1 P24666 2/20 0.39
ROCK1 Q13464 2/20 0.38
ROCK2 O75116 1/20 0.38
PTGDR Q13258 2/20 0.38
PDE5A O76074 1/20 0.38
PDE2A O00408 1/20 0.37
MTOR P42345 2/20 0.37
MAPT P10636 1/20 0.36
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL15158304 0.80 MEN1 (0.41) ALDH1A1CYP2D6GSK3BMEN1KMT2A
SCHEMBL926835 0.76 GSK3B (0.44) CYP2D6GSK3B
SCHEMBL3403341 0.75 GSK3B (0.40) CYP2D6GSK3B
SCHEMBL3403112 0.74 GSK3B (0.46) CYP2D6GSK3BMTOR
SCHEMBL3402354 0.74 RAB9A (0.36) ALDH1A1CYP2D6GSK3BMEN1KMT2A
SCHEMBL927707 0.73 GSK3B (0.41) CYP2D6GSK3BMTOR
SCHEMBL928012 0.73 GSK3B (0.41) CYP2D6GSK3BMTOR
SCHEMBL3401265 0.73 KCNMA1 (0.44) ALDH1A1MEN1KMT2AMTORMAPT
SCHEMBL3397799 0.73 GSK3B (0.44) CYP2D6GSK3BMTOR
SCHEMBL3398468 0.73 MTOR (0.40) ALDH1A1GSK3BLMNAMTOR

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
US-8507470-B2 Substituted arylamide oxazepinopyrimidone derivatives SANOFI (FR) 2013-08-13 US disclosed
EP-2247599-B1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI SA (FR) 2012-11-28 EP disclosed
EP-2247598-B1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI SA (FR) 2012-10-24 EP disclosed
US-20110015177-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-01-20 US disclosed
EP-2247599-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-11-10 EP disclosed
EP-2247598-A1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-11-10 EP disclosed
WO-2009095788-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed
WO-2009095787-A1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed
EP-2085400-A1 Substituted heteroarylamide oxazepinopyrimidone derivatives Sanofi-Aventis (FR) 2009-08-05 EP disclosed
EP-2085399-A1 substituted arylamide oxazepinopyrimidone derivatives Sanofi-Aventis (FR) 2009-08-05 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-20110015177-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES WEE1, NHERF1, WEE2 ALDH1A1 93/4885CYP2D6 55/4885GSK3B 748/4885

“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.