SCHEMBL4854027

SCHEMBL4854027

CS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccncc3)n[nH]c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.58
▸ NAMPT P43490 3/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ CASP1 P29466 1/20 0.46
▸ ROCK2 O75116 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ GRK2 P25098 1/20 0.44
▸ ELANE P08246 4/20 0.43
▸ TSHR P16473 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ CDC7 O00311 1/20 0.43

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 SCHEMBL5658680 0.93 GSK3B (0.55) GSK3BNAMPTCYP2C9MAPK8MAPK9
SCHEMBL4856282 0.88 GSK3B (0.69) GSK3BCYP2C9CASP1ROCK2PRKCA
SCHEMBL4848500 0.87 GSK3B (0.62) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL4856466 0.86 GSK3B (0.64) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL4848952 0.85 GSK3B (0.62) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL4856280 0.85 GSK3B (0.75) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL4856682 0.85 GSK3B (0.69) GSK3BCYP2C9CASP1ROCK2PRKCA
SCHEMBL4853003 0.85 GSK3B (0.65) GSK3BNAMPTCYP2C9CASP1ROCK2
SCHEMBL5227468 0.84 MAPT (0.60) GSK3BROCK2PRKCAGRK2KDM4E
SCHEMBL4848978 0.84 GSK3B (0.61) GSK3BNAMPTCASP1ROCK2PRKCA

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 3708/4885NAMPT 2251/4885CYP2C9 80/4885

“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.

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