SCHEMBL4383872

SCHEMBL4383872

CC1(N)CCCCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.40
GSK3B P49841 13/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CYP2C9 P11712 1/20 0.37
CDC7 O00311 2/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 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
SCHEMBL4380836 0.85 GSK3B (0.46) GSK3BLATS1LATS2
SCHEMBL4385249 0.81 GSK3B (0.46) GSK3BLATS1LATS2
SCHEMBL4381041 0.72 ALDH1A1 (0.36) GSK3BCYP2C9ROCK2
SCHEMBL15512999 0.71 GSK3B (0.44) GSK3BLATS1LATS2
SCHEMBL1831168 0.71 ALDH1A1 (0.51) KDM5BGSK3BCYP2C9CDC7ROCK2
SCHEMBL1831028 0.71 GSK3B (0.46) KDM5BGSK3BCDC7ROCK2MAP4K4
SCHEMBL4379557 0.71 GSK3B (0.43) GSK3BLATS1LATS2
SCHEMBL2064259 0.70 GSK3B (0.43) KDM5BGSK3BHDAC1HDAC2CYP2C9
SCHEMBL4867552 0.70 KDM5B (0.41) KDM5BGSK3BCDC7ROCK2MAP4K4
SCHEMBL3998985 0.69 CDC7 (0.46) KDM5BGSK3BCDC7LATS1

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 KDM5B 1666/4885GSK3B 1/4885HDAC1 85/4885

“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.