SCHEMBL926835

SCHEMBL926835

O=c1cc(-c2ccncn2)nc2n1CCOCC2NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.44
CYP2D6 P10635 7/20 0.44
CYP1A2 P05177 3/20 0.39

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
SCHEMBL3397058 0.89 GSK3B (0.40) GSK3BCYP2D6CYP1A2
SCHEMBL3403112 0.85 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL3403341 0.85 GSK3B (0.40) GSK3BCYP2D6CYP1A2
SCHEMBL3664997 0.83 GSK3B (0.48) GSK3BCYP2D6
SCHEMBL3402201 0.83 GSK3B (0.35) GSK3BCYP2D6CYP1A2
SCHEMBL3400852 0.82 GSK3B (0.37) GSK3BCYP2D6CYP1A2
SCHEMBL3402376 0.81 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL3397045 0.81 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL3398624 0.80 GSK3B (0.40) GSK3BCYP2D6CYP1A2
SCHEMBL3403465 0.80 GSK3B (0.48) GSK3BCYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507470-B2 Substituted arylamide oxazepinopyrimidone derivatives SANOFI (FR) 2013-08-13 US claimed
EP-2247599-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-11-10 EP claimed
WO-2009095788-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO claimed
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
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
WO-2009095788-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO 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 748/4885CYP2D6 55/4885CYP1A2 362/4885

“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.