SCHEMBL4853063

SCHEMBL4853063

O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.59
ROCK1 Q13464 2/20 0.49
ROCK2 O75116 2/20 0.49
EGLN1 Q9GZT9 1/20 0.49
KDR P35968 3/20 0.48
FLT1 P17948 2/20 0.48
NAMPT P43490 3/20 0.47
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
MAPT P10636 1/20 0.45
HTR2C P28335 2/20 0.44
CASP1 P29466 1/20 0.44
PDE2A O00408 1/20 0.43
PRKCA P17252 1/20 0.43
GRK2 P25098 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL4853151 0.89 ROCK2 (0.64) GSK3BROCK1ROCK2KDRFLT1
SCHEMBL4854602 0.88 GSK3B (0.63) GSK3BROCK2KDRFLT1NAMPT
SCHEMBL5227468 0.87 MAPT (0.60) GSK3BROCK1ROCK2MAPTPRKCA
Trifluoroacetic Acid SCHEMBL5656445 0.87 GSK3B (0.55) GSK3BROCK1ROCK2MAPTPRKCA
Trifluoroacetic Acid SCHEMBL5658515 0.86 ROCK2 (0.60) GSK3BROCK1ROCK2KDRFLT1
SCHEMBL4856282 0.86 GSK3B (0.69) GSK3BROCK1ROCK2CASP1PRKCA
SCHEMBL4856280 0.85 GSK3B (0.75) GSK3BROCK1ROCK2EGLN1MAPT
SCHEMBL4856466 0.84 GSK3B (0.64) GSK3BROCK1ROCK2MAPTCASP1
Trifluoroacetic Acid SCHEMBL5655822 0.84 GSK3B (0.59) GSK3BROCK2KDRFLT1NAMPT
Trifluoroacetic Acid SCHEMBL5658704 0.84 GSK3B (0.67) GSK3BROCK1ROCK2EGLN1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 US 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-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A GSK3B 3708/4885ROCK1 4428/4885ROCK2 4122/4885

“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.