SCHEMBL926959

SCHEMBL926959

O=c1cc(-c2ccncc2)nc2n1CCOCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
KDM5B Q9UGL1 1/20 0.40
GSK3B P49841 8/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2D6 P10635 4/20 0.39
CDC7 O00311 1/20 0.38
MTOR P42345 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
XDH P47989 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL927260 0.83 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL1831168 0.81 ALDH1A1 (0.51) KDM5BGSK3BCDC7CYP2C9ALDH1A1
SCHEMBL927707 0.74 GSK3B (0.41) ARPIK3CAPIK3CBPIK3CGKDM5B
SCHEMBL928012 0.74 GSK3B (0.41) ARPIK3CAPIK3CBPIK3CGKDM5B
SCHEMBL3398094 0.71 GSK3B (0.39) ARPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL914861 0.70 CDC7 (0.47) GSK3BCYP1A2CDC7NPSR1ALDH1A1
SCHEMBL4000370 0.69 CDC7 (0.51) KDM5BGSK3BCDC7ALDH1A1
SCHEMBL5381034 0.68 HSD17B10 (0.58) ARPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL3998985 0.67 CDC7 (0.46) KDM5BGSK3BCDC7ALDH1A1
SCHEMBL2115082 0.66 GSK3B (0.63) GSK3BCYP1A2CYP2D6

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-2009095787-A1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed
WO-2009095788-A1 SUBSTITUTED ARYLAMIDE 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 AR 1310/4885PIK3CA 1045/4885PIK3CB 2984/4885

“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.