SCHEMBL4391271

SCHEMBL4391271

C[C]1c2nc(-c3ccncc3)cc(=O)n2CCCC1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.39
CDC7 O00311 2/20 0.39
ROCK2 O75116 2/20 0.39
PIM1 P11309 2/20 0.39
HIPK2 Q9H2X6 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
DYRK1A Q13627 1/20 0.37
MAP4K4 O95819 1/20 0.35
PRKACA P17612 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
RECQL P46063 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL4381399 0.86 GSK3B (0.45) GSK3BCYP2D6PIK3CA
SCHEMBL4380859 0.82 GSK3B (0.40) GSK3BCDC7ROCK2PIM1HIPK2
SCHEMBL4379551 0.74 GSK3B (0.42) GSK3BCYP1A2CYP2D6PIK3CA
SCHEMBL4209348 0.73 GSK3B (0.50) GSK3BCYP1A2CYP2D6
SCHEMBL3375649 0.73 GSK3B (0.40) GSK3BCDC7ROCK2PIM1HIPK2
SCHEMBL2065131 0.72 PRKCD (0.42) GSK3BCDC7ROCK2PIM1HIPK2
SCHEMBL3658356 0.71 GSK3B (0.48) GSK3BCDC7PRKCBPRKCAPRKCH
SCHEMBL3398094 0.71 GSK3B (0.39) GSK3BCYP2C9CYP1A2CYP2D6PIK3CA
SCHEMBL4217864 0.71 GSK3B (0.41) GSK3BCYP1A2CYP2D6
SCHEMBL13711423 0.70 GSK3B (0.57) GSK3BCYP1A2CYP2D6

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-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
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 1/4885CDC7 2108/4885ROCK2 626/4885

“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.