SCHEMBL4384596

SCHEMBL4384596

O=C(NC1CCCn2c1nc(-c1ccncn1)cc2=O)c1ccc2ncccc2n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.37
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 2/20 0.35
NAMPT P43490 1/20 0.34
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34

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
SCHEMBL4383569 0.97 GSK3B (0.37) GSK3BTNKSTNKS2CYP3A4CYP2D6
SCHEMBL4386979 0.95 GSK3B (0.38) GSK3BTNKSTNKS2CYP3A4CYP2D6
SCHEMBL3403493 0.88 GSK3B (0.35) GSK3BTNKSTNKS2CYP3A4CYP2D6
SCHEMBL4386475 0.87 HPGD (0.38) GSK3BNAMPT
SCHEMBL3664250 0.85 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL4387983 0.84 NAMPT (0.36) GSK3BNAMPT
SCHEMBL4401406 0.84 GSK3B (0.37) GSK3BTNKSTNKS2CYP3A4CYP2D6
SCHEMBL2066076 0.83 GSK3B (0.47) GSK3BCYP3A4CYP2D6SCDSCD5
SCHEMBL4380168 0.82 GSK3B (0.38) GSK3BCYP2D6
SCHEMBL4377805 0.82 ALDH1A1 (0.45) GSK3B

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
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
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP 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
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP 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 1/4885TNKS 492/4885TNKS2 950/4885

“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.