SCHEMBL4384554

SCHEMBL4384554

COc1ncccc1C(=O)NC1(C)CCCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.37
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 4/20 0.34
CYP1A2 P05177 3/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
GPR6 P46095 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4378591 0.97 GSK3B (0.38) GSK3BCYP3A4CYP2D6CYP1A2BRD4
SCHEMBL4381041 0.91 ALDH1A1 (0.36) GSK3BALDH1A1KDM4EBRD4BRPF1
SCHEMBL4387999 0.89 GSK3B (0.37) GSK3BCYP3A4ALDH1A1TSHR
SCHEMBL4387224 0.89 ALDH1A1 (0.36) GSK3BCYP3A4ALDH1A1KDM4ECYP2D6
SCHEMBL2066100 0.87 GSK3B (0.43) GSK3BCYP3A4ALDH1A1CYP2D6CYP1A2
SCHEMBL4385699 0.83 GSK3B (0.35) GSK3BCYP3A4CYP2D6
SCHEMBL3373754 0.82 OPRD1 (0.41) GSK3BCYP3A4CYP2D6CYP1A2
SCHEMBL4377775 0.81 GSK3B (0.39) GSK3BALDH1A1KDM4ECYP2D6CYP1A2
SCHEMBL2065915 0.81 GSK3B (0.37) GSK3BCYP2D6CYP1A2
SCHEMBL2066113 0.81 GSK3B (0.46) GSK3BCYP2D6CYP1A2

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-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US claimed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US claimed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP claimed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO claimed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 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-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES GSK3B, GSK3A, GSKIP GSK3B 1/4885CYP3A4 1284/4885ALDH1A1 1709/4885

“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.