SCHEMBL4381747

SCHEMBL4381747

Cc1ccc(C(=O)NC2CCCn3c2nc(-c2ccncn2)cc3=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
NR2F2 P24468 1/20 0.40
RAB9A P51151 1/20 0.40
GSK3B P49841 14/20 0.40
GABRA5 P31644 1/20 0.38
NTRK1 P04629 1/20 0.38
PDE2A O00408 1/20 0.37
RPS6KA2 Q15349 1/20 0.35
CYP2D6 P10635 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
SCHEMBL4378741 0.89 ALDH1A1 (0.44) RAB9AGSK3BGABRA5RPS6KA2CYP2D6
SCHEMBL4377805 0.89 ALDH1A1 (0.45) RAB9AGSK3BNTRK1
SCHEMBL4386108 0.86 RAB9A (0.41) KMT2ANR2F2RAB9AGSK3B
SCHEMBL2066076 0.86 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL2065426 0.85 DRD4 (0.42) RAB9AGSK3BRPS6KA2
SCHEMBL4389917 0.84 HPGDS (0.39) RAB9AGSK3BRPS6KA2
SCHEMBL4383822 0.83 SCN9A (0.45) GABRA5
SCHEMBL4768777 0.83 GSK3B (0.38) GSK3BRPS6KA2CYP2D6
SCHEMBL2065105 0.82 GSK3B (0.44) GSK3BCYP2D6
SCHEMBL2065496 0.82 GRM5 (0.46) RAB9AGSK3B

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
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 KMT2A 1497/4885NR2F2 1658/4885RAB9A 1519/4885

“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.