SCHEMBL2065359

SCHEMBL2065359

COc1ccccc1C(=O)NC1CCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
KLKB1 P03952 1/20 0.40

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
SCHEMBL2065434 0.97 GSK3B (0.45) GSK3BCYP1A2CYP2D6MEN1KMT2A
SCHEMBL2065233 0.93 TDP1 (0.46) GSK3BCYP1A2CYP2D6MEN1KMT2A
SCHEMBL2065304 0.92 GSK3B (0.40) GSK3BCYP1A2CYP2D6
SCHEMBL2064913 0.91 GSK3B (0.49) GSK3BCYP1A2CYP2D6HCRTR1HCRTR2
SCHEMBL2066160 0.90 GSK3B (0.45) GSK3BCYP1A2CYP2D6HCRTR1HCRTR2
SCHEMBL2064515 0.90 TDP1 (0.45) GSK3BCYP1A2CYP2D6MEN1KMT2A
SCHEMBL2065232 0.89 GSK3B (0.37) GSK3BCYP1A2CYP2D6HCRTR2
SCHEMBL2065082 0.89 GSK3B (0.39) GSK3BCYP1A2CYP2D6
SCHEMBL2064592 0.89 F10 (0.44) GSK3BCYP1A2CYP2D6
SCHEMBL2066336 0.89 CRBN (0.46) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 US claimed
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP claimed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US claimed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP claimed
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 US disclosed
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP disclosed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
EP-1957492-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES sanofi-aventis (FR) 2008-08-20 EP disclosed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP disclosed
WO-2007057790-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-05-24 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-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES GSK3B, GSK3A, PSEN1 GSK3B 1/4885CYP1A2 1784/4885CYP2D6 1253/4885

“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.