SCHEMBL4853151

SCHEMBL4853151

O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.64
ROCK1 Q13464 8/20 0.64
GSK3B P49841 3/20 0.56
KDM5A P29375 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
MAPK14 Q16539 1/20 0.49
MMP13 P45452 1/20 0.48
MAPT P10636 2/20 0.48
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
PRKACA P17612 1/20 0.47
GSK3A P49840 1/20 0.47
PRKX P51817 1/20 0.47
PRKCQ Q04759 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
NAMPT P43490 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL5658515 0.96 ROCK2 (0.60) ROCK2ROCK1GSK3BKDM5AKDM4C
SCHEMBL13986982 0.91 ROCK1 (0.52) ROCK2ROCK1GSK3BKDM5AKDM4C
SCHEMBL4853063 0.89 GSK3B (0.59) ROCK2ROCK1GSK3BMAPTFLT1
SCHEMBL4848924 0.85 GSK3B (0.59) ROCK2ROCK1GSK3BFLT1KDR
SCHEMBL4856810 0.84 GSK3B (0.71) ROCK2ROCK1GSK3BPRKACACLK4
Trifluoroacetic Acid SCHEMBL5656429 0.83 GSK3B (0.64) ROCK2ROCK1GSK3BMAPK14MAPT
SCHEMBL4853003 0.83 GSK3B (0.65) ROCK2ROCK1GSK3BMMP13MAPT
Trifluoroacetic Acid SCHEMBL5657745 0.82 GSK3B (0.55) ROCK2ROCK1GSK3BFLT1KDR
SCHEMBL4853282 0.82 GSK3B (0.65) ROCK2ROCK1GSK3BMAPK14CYP2C9
SCHEMBL4856282 0.81 GSK3B (0.69) ROCK2ROCK1GSK3BMMP13CYP2C9

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 ROCK2 4122/4885ROCK1 4428/4885GSK3B 3708/4885

“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.