SCHEMBL2065467

SCHEMBL2065467

CCS(=O)(=O)c1ccc(OC)c(C(=O)NC2CCCn3c2nc(-c2ccncn2)cc3=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CYP2D6 P10635 4/20 0.40
CYP1A2 P05177 3/20 0.40
CA2 P00918 2/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA3 P07451 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL2066169 0.89 POLB (0.49) DRD2DRD3CYP2D6CYP1A2CA2
SCHEMBL2064918 0.87 DRD2 (0.43) DRD2DRD3CYP2D6CYP1A2DRD4
SCHEMBL2065310 0.87 DRD2 (0.43) DRD2CYP2D6CYP1A2MAPTLMNA
SCHEMBL2065359 0.86 GSK3B (0.46) CYP2D6CYP1A2LMNATSHRGSK3B
SCHEMBL2064445 0.85 GSK3B (0.41) CYP2D6CYP1A2GSK3BCYP3A4
SCHEMBL2065813 0.84 KCNMA1 (0.42) DRD2CYP2D6CYP1A2LMNAGSK3B
SCHEMBL2065404 0.84 MEN1 (0.41) DRD2DRD3CYP2D6CYP1A2DRD4
SCHEMBL2065434 0.83 GSK3B (0.45) CYP2D6CYP1A2LMNATSHRGSK3B
SCHEMBL2066336 0.82 CRBN (0.46) CYP2D6CYP1A2GSK3BCYP3A4
SCHEMBL2064913 0.82 GSK3B (0.49) CYP2D6CYP1A2GSK3B

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-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 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-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP claimed
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 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 (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-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES GSK3B, GSK3A, PSEN1 DRD2 1186/4885DRD3 1271/4885ADRA2B 1538/4885

“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.