SCHEMBL2065813

SCHEMBL2065813

COc1ccc(Cl)cc1C(=O)NC1CCCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.42
DRD2 P14416 1/20 0.40
GSK3B P49841 7/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HMOX1 P09601 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
SCHEMBL2065310 0.98 DRD2 (0.43) KCNMA1DRD2GSK3BNPC1RAB9A
SCHEMBL2065341 0.94 KCNMA1 (0.44) KCNMA1DRD2GSK3BCYP1A2CYP2D6
SCHEMBL2065363 0.94 F10 (0.43) GSK3BNPC1RAB9ACYP1A2CYP2D6
SCHEMBL2064445 0.91 GSK3B (0.41) GSK3BCYP1A2CYP2D6
SCHEMBL2064592 0.91 F10 (0.44) GSK3BNPC1RAB9ACYP1A2CYP2D6
SCHEMBL2065404 0.90 MEN1 (0.41) DRD2GSK3BMEN1KMT2ACYP1A2
SCHEMBL3666903 0.90 GSK3B (0.44) KCNMA1GSK3BMEN1KMT2ACYP1A2
SCHEMBL2065434 0.89 GSK3B (0.45) GSK3BLMNAMEN1KMT2ACYP1A2
SCHEMBL2066338 0.89 KCNMA1 (0.46) KCNMA1DRD2NPC1RAB9ALMNA
SCHEMBL3425658 0.88 KCNMA1 (0.40) KCNMA1GSK3BMEN1KMT2ACYP1A2

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 6 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
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

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 KCNMA1 2597/4885DRD2 1186/4885GSK3B 1/4885

“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.