SCHEMBL5229735

SCHEMBL5229735

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.69
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 1/20 0.46
CASP1 P29466 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
PRKCA P17252 1/20 0.43
GRK2 P25098 1/20 0.43
MAPT P10636 1/20 0.43
PDPK1 O15530 3/20 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
Trifluoroacetic Acid SCHEMBL5657921 0.94 GSK3B (0.62) GSK3BROCK2ROCK1CASP1HDAC3
SCHEMBL5231599 0.91 GSK3B (0.66) GSK3BROCK2CASP1HDAC3HDAC4
SCHEMBL5240909 0.91 GSK3B (0.66) GSK3BROCK2CASP1HDAC3HDAC4
SCHEMBL4856280 0.89 GSK3B (0.75) GSK3BROCK2ROCK1CASP1HDAC3
SCHEMBL4856282 0.87 GSK3B (0.69) GSK3BROCK2ROCK1CASP1HDAC3
SCHEMBL4856682 0.87 GSK3B (0.69) GSK3BROCK2ROCK1CASP1PRKCA
SCHEMBL5226580 0.87 GSK3B (0.72) GSK3BROCK2ROCK1CASP1HDAC3
SCHEMBL4856810 0.86 GSK3B (0.71) GSK3BROCK2ROCK1CASP1PRKCA
Trifluoroacetic Acid SCHEMBL5659066 0.85 GSK3B (0.59) GSK3BROCK2CASP1HDAC3HDAC1
Trifluoroacetic Acid SCHEMBL5657375 0.85 GSK3B (0.59) GSK3BROCK2CASP1HDAC3HDAC4

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 3708/4885ROCK2 4122/4885ROCK1 4428/4885

“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.