SCHEMBL2064592

SCHEMBL2064592

COc1cc(Cl)ccc1C(=O)NC1CCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.44
GSK3B P49841 17/20 0.41
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2065363 0.98 F10 (0.43) F10GSK3BCYP1A2CYP2D6NPC1
SCHEMBL2065400 0.95 F10 (0.43) F10GSK3BCYP1A2CYP2D6
SCHEMBL2065310 0.93 DRD2 (0.43) GSK3BCYP1A2CYP2D6NPC1RAB9A
SCHEMBL2065813 0.91 KCNMA1 (0.42) GSK3BCYP1A2CYP2D6NPC1RAB9A
SCHEMBL1168730 0.90 GSK3B (0.44) F10GSK3BCYP1A2CYP2D6
SCHEMBL2064913 0.90 GSK3B (0.49) GSK3BCYP1A2CYP2D6
SCHEMBL2066336 0.90 CRBN (0.46) GSK3BCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL3664307 0.90 GSK3B (0.43) GSK3BCYP1A2CYP2D6
SCHEMBL3661589 0.89 F10 (0.40) F10GSK3BCYP1A2CYP2D6
SCHEMBL2065359 0.89 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 US claimed
US-20110294786-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-01 US claimed
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP claimed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US claimed
EP-1957492-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES sanofi-aventis (FR) 2008-08-20 EP claimed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP claimed
WO-2007057790-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-05-24 WO claimed
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 US disclosed
US-20110294786-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-01 US disclosed
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP disclosed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
EP-1957492-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES sanofi-aventis (FR) 2008-08-20 EP disclosed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP disclosed
WO-2007057790-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-05-24 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-20110294786-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES GSK3B, GSK3A, PSEN1 F10 4503/4885GSK3B 1/4885CYP1A2 1784/4885
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES GSK3B, GSK3A, PSEN1 F10 4503/4885GSK3B 1/4885CYP1A2 1784/4885

“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.