SCHEMBL4385249

SCHEMBL4385249

CC1(N)CCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.46
CYP2D6 P10635 4/20 0.39
CYP1A2 P05177 3/20 0.39
CSNK1A1 P48729 1/20 0.39
GSK3A P49840 1/20 0.39
LATS1 O95835 1/20 0.39
LATS2 Q9NRM7 1/20 0.39

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
SCHEMBL4380836 0.97 GSK3B (0.46) GSK3BCYP2D6CYP1A2LATS1LATS2
SCHEMBL4560982 0.85 GSK3B (0.44) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL15512999 0.83 GSK3B (0.44) GSK3BCYP2D6LATS1LATS2
SCHEMBL4379557 0.82 GSK3B (0.43) GSK3BCYP2D6LATS1LATS2
SCHEMBL4383872 0.81 KDM5B (0.40) GSK3BLATS1LATS2
SCHEMBL4377775 0.75 GSK3B (0.39) GSK3BCYP2D6CYP1A2LATS1LATS2
SCHEMBL2066100 0.73 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL1832408 0.73 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL3560210 0.73 GSK3B (0.47) GSK3BCYP2D6CYP1A2
SCHEMBL4378591 0.73 GSK3B (0.38) 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 10 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
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 1/4885CYP2D6 697/4885CYP1A2 1146/4885

“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.