SCHEMBL916300

SCHEMBL916300

CCOC(=O)N1CCn2c(nc(-c3ccncn3)cc2=O)C(Br)C1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.49
CYP2D6 P10635 2/20 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
SCHEMBL1832106 0.89 GSK3B (0.49) GSK3BCYP2D6
SCHEMBL1168728 0.89 GSK3B (0.49) GSK3BCYP2D6
Bromide SCHEMBL3660416 0.88 GSK3B (0.49) GSK3BCYP2D6
SCHEMBL1168937 0.82 GSK3B (0.46) GSK3B
SCHEMBL3662330 0.82 GSK3B (0.47) GSK3BCYP2D6
Hydrochloric Acid SCHEMBL3665578 0.81 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL3654635 0.81 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL915365 0.81 GSK3B (0.46) GSK3B
SCHEMBL914927 0.80 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL3664584 0.79 GSK3B (0.46) GSK3BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238141-B1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA SANOFI SA (FR) 2015-01-14 EP disclosed
US-8507475-B2 Substituted heteroarylamide diazepinopyrimidone derivatives SANOFI (FR) 2013-08-13 US disclosed
US-8507476-B2 Substituted arylamide diazepinopyrimidone derivatives SANOFI (FR) 2013-08-13 US disclosed
EP-2238140-B1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI SA (FR) 2013-07-17 EP disclosed
US-20110015187-A1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-01-20 US disclosed
EP-2238140-A2 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-10-13 EP disclosed
EP-2238141-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA Sanofi-Aventis (FR) 2010-10-13 EP disclosed
EP-2090579-A1 Substituted heteroarylamide diazepinopyrimidone derivatives Sanofi-Aventis (FR) 2009-08-19 EP disclosed
EP-2090578-A1 Substituted arylamide diazepinopyrimidone derivatives for the treatment of neurodegenerative diseases caused by abnormal activity of GSK3-beta Sanofi-Aventis (FR) 2009-08-19 EP disclosed
WO-2009095789-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed
WO-2009095792-A2 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO 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-20110015187-A1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES WEE1, CBR1, WEE2 GSK3B 432/4885CYP2D6 88/4885

“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.