SCHEMBL914927

SCHEMBL914927

CCOC(=O)N1CCn2c(nc(-c3ccncn3)cc2=O)C(NCc2ccc(OC)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.47
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RY12 Q9H244 1/20 0.36

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
SCHEMBL3662330 0.91 GSK3B (0.47) GSK3BCYP1A2CYP3A4CYP2D6L3MBTL1
Hydrochloric Acid SCHEMBL3665578 0.91 GSK3B (0.47) GSK3BCYP1A2CYP3A4CYP2D6L3MBTL1
SCHEMBL15158304 0.90 MEN1 (0.41) GSK3BCYP2D6MEN1KMT2AALDH1A1
SCHEMBL3665141 0.90 GSK3B (0.45) GSK3BCYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL3664584 0.80 GSK3B (0.46) GSK3BCYP1A2CYP2D6MEN1KMT2A
SCHEMBL1832106 0.80 GSK3B (0.49) GSK3BCYP2D6
SCHEMBL916300 0.80 GSK3B (0.49) GSK3BCYP2D6
SCHEMBL1168728 0.80 GSK3B (0.49) GSK3BCYP2D6
Bromide SCHEMBL3660416 0.79 GSK3B (0.49) GSK3BCYP2D6
SCHEMBL1168937 0.79 GSK3B (0.46) GSK3BKMT2AALDH1A1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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-20110039835-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-02-17 US disclosed
US-20110015187-A1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-01-20 US 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-2238140-A2 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES 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-2009095792-A2 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 432/4885CYP1A2 605/4885CYP3A4 254/4885
US-20110039835-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES CBR1, QDPR, HRH1 GSK3B 1155/4885CYP1A2 399/4885CYP3A4 345/4885

“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.