SCHEMBL2066076

SCHEMBL2066076

O=C(NC1CCCn2c1nc(-c1ccncn1)cc2=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.47
CYP2D6 P10635 5/20 0.42
CYP3A4 P08684 1/20 0.39
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 0.39
CYP1A2 P05177 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4377805 0.92 ALDH1A1 (0.45) GSK3BHTT
SCHEMBL2065426 0.91 DRD4 (0.42) GSK3B
SCHEMBL2065496 0.90 GRM5 (0.46) GSK3B
SCHEMBL2065105 0.90 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL4768777 0.89 GSK3B (0.38) GSK3BCYP2D6
SCHEMBL2066088 0.88 GSK3B (0.40) GSK3BCYP2D6CYP3A4SCDSCD5
SCHEMBL2065099 0.88 GSK3B (0.47) GSK3BCYP2D6CYP3A4CYP1A2
SCHEMBL3401659 0.87 GSK3B (0.39) GSK3BCYP2D6CYP3A4SCDSCD5
SCHEMBL4381747 0.86 KMT2A (0.40) GSK3BCYP2D6
SCHEMBL4378741 0.86 ALDH1A1 (0.44) 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 12 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-1957492-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES sanofi-aventis (FR) 2008-08-20 EP claimed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP claimed
WO-2007057790-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-05-24 WO 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 1/4885CYP2D6 1253/4885CYP3A4 2063/4885

“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.