SCHEMBL5226580

SCHEMBL5226580

O=C(NCc1cc(F)cc(F)c1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.72
AURKA O14965 1/20 0.54
ROCK2 O75116 5/20 0.50
ROCK1 Q13464 4/20 0.50
CDC7 O00311 2/20 0.50
MAP4K4 O95819 2/20 0.50
PIM1 P11309 2/20 0.50
PRKACA P17612 2/20 0.50
CDK2 P24941 2/20 0.50
HIPK2 Q9H2X6 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
IRAK4 Q9NWZ3 2/20 0.50
MKNK2 Q9HBH9 1/20 0.50
CASP1 P29466 1/20 0.47
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45

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 SCHEMBL5659768 0.94 GSK3B (0.64) GSK3BAURKAROCK2ROCK1CDC7
SCHEMBL4856280 0.91 GSK3B (0.75) GSK3BROCK2ROCK1CDC7MAP4K4
SCHEMBL4856810 0.90 GSK3B (0.71) GSK3BAURKAROCK2ROCK1CDC7
SCHEMBL4856282 0.89 GSK3B (0.69) GSK3BROCK2ROCK1CDC7MAP4K4
SCHEMBL5229735 0.87 GSK3B (0.69) GSK3BROCK2ROCK1CDC7MAP4K4
SCHEMBL5231094 0.86 GSK3B (0.62) GSK3BROCK2ROCK1CDC7MAP4K4
SCHEMBL4847289 0.86 GSK3B (0.62) GSK3BROCK2ROCK1CDC7MAP4K4
SCHEMBL4853003 0.86 GSK3B (0.65) GSK3BROCK2ROCK1CDC7MAP4K4
Trifluoroacetic Acid SCHEMBL5658704 0.85 GSK3B (0.67) GSK3BROCK2ROCK1CDC7MAP4K4
SCHEMBL4856466 0.85 GSK3B (0.64) GSK3BROCK2ROCK1CDC7MAP4K4

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 7 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-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 3708/4885AURKA 260/4885ROCK2 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.