SCHEMBL2066100

SCHEMBL2066100

COc1ccccc1C(=O)NC1(C)CCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.43
CYP2D6 P10635 4/20 0.43
CYP1A2 P05177 3/20 0.43
KLKB1 P03952 1/20 0.40
CYP3A4 P08684 1/20 0.39
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
BCR P11274 1/20 0.37
PDGFRA P16234 1/20 0.37
PRKCA P17252 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL2066113 0.91 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL3373754 0.90 OPRD1 (0.41) GSK3BCYP2D6CYP1A2CYP3A4KMT2A
SCHEMBL2064564 0.89 MEN1 (0.39) GSK3BCYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL2064528 0.89 KCNMA1 (0.42) GSK3BCYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL2065915 0.89 GSK3B (0.37) GSK3BCYP2D6CYP1A2
SCHEMBL4378591 0.89 GSK3B (0.38) GSK3BCYP2D6CYP1A2CYP3A4MAPT
SCHEMBL3372743 0.88 CYP3A4 (0.38) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL2067140 0.88 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL2065738 0.87 SLC6A9 (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL4384554 0.87 GSK3B (0.37) GSK3BCYP2D6CYP1A2CYP3A4ALDH1A1

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 8 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
EP-1957492-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES sanofi-aventis (FR) 2008-08-20 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 GSK3B 1/4885CYP2D6 1253/4885CYP1A2 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.