SCHEMBL928012

SCHEMBL928012

O=c1cc(-c2ccncc2)nc2n1CCOCC2Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2D6 P10635 4/20 0.41
MTOR P42345 1/20 0.39
AR P10275 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
CHEK1 O14757 1/20 0.35
ATR Q13535 1/20 0.35
PDCD1 Q15116 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CDC7 O00311 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL927707 0.85 GSK3B (0.41) GSK3BCYP1A2CYP2D6MTORAR
SCHEMBL3397060 0.85 GSK3B (0.46) GSK3BCYP1A2CYP2D6
SCHEMBL3398094 0.81 GSK3B (0.39) GSK3BCYP1A2CYP2D6MTORAR
SCHEMBL926959 0.74 AR (0.44) GSK3BCYP1A2CYP2D6MTORAR
SCHEMBL927540 0.73 ALDH1A1 (0.43) GSK3BCYP2D6MTOR
SCHEMBL2065267 0.73 GSK3B (0.42) GSK3BCYP1A2CYP2D6KDM5BCDC7
SCHEMBL2065131 0.71 PRKCD (0.42) GSK3BCYP1A2CYP2D6KDM5BCDC7
SCHEMBL1831028 0.71 GSK3B (0.46) GSK3BCYP1A2CYP2D6KDM5BCDC7
SCHEMBL4210550 0.71 GSK3B (0.54) GSK3BCYP1A2CYP2D6
SCHEMBL3396964 0.71 GSK3B (0.46) 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-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 GSK3B 748/4885CYP1A2 362/4885CYP2D6 55/4885

“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.