SCHEMBL2065173

SCHEMBL2065173

O=C(NC1CCCn2c1nc(-c1ccncc1)cc2=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CRBN Q96SW2 1/20 0.36
CCR3 P51677 1/20 0.36
GSK3B P49841 7/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
WDR5 P61964 3/20 0.35
EPHX2 P34913 1/20 0.35
P2RX7 Q99572 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL2067127 0.89 HCRTR1 (0.41) MAPK13MAPK12MAPK11MAPK14GSK3B
SCHEMBL3666373 0.89 GSK3B (0.42) MAPK13MAPK12MAPK11MAPK14GSK3B
SCHEMBL3661594 0.88 GSK3B (0.40) MAPK13MAPK12MAPK11MAPK14CRBN
SCHEMBL2066370 0.86 HCRTR1 (0.38) CCR3GSK3BALDH1A1GAAHCRTR1
SCHEMBL2066786 0.85 GSK3B (0.47) CCR3GSK3BHCRTR1
SCHEMBL2065134 0.84 GSK3B (0.46) GSK3B
SCHEMBL2065579 0.83 GSK3B (0.46) CCR3GSK3BALDH1A1HCRTR1
SCHEMBL2067036 0.82 CYP2C9 (0.40) CCR3GSK3BEPHX2HCRTR1
SCHEMBL2065605 0.80 BRAF (0.39) GSK3BWDR5
SCHEMBL2064820 0.80 GSK3B (0.48) CRBNCCR3GSK3BHCRTR1

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 MAPK13 1410/4885MAPK12 1048/4885MAPK11 1677/4885

“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.