SCHEMBL5229575

SCHEMBL5229575

O=C(NCc1cccc(Cl)c1Cl)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.64
MAPK1 P28482 3/20 0.48
CASP1 P29466 2/20 0.48
MAPK3 P27361 2/20 0.48
CYP2C9 P11712 1/20 0.48
ROCK2 O75116 5/20 0.46
PRKCA P17252 2/20 0.46
GRK2 P25098 2/20 0.46
P2RX7 Q99572 2/20 0.43
MAPK7 Q13164 1/20 0.42
ROCK1 Q13464 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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 SCHEMBL5657401 0.93 GSK3B (0.59) GSK3BMAPK1CASP1MAPK3CYP2C9
SCHEMBL4847310 0.92 GSK3B (0.66) GSK3BMAPK1CASP1MAPK3CYP2C9
SCHEMBL4856266 0.84 CASP1 (0.69) GSK3BMAPK1CASP1MAPK3CYP2C9
SCHEMBL13986976 0.84 P2RX7 (0.63) GSK3BMAPK1MAPK3P2RX7POLB
SCHEMBL4848429 0.84 GSK3B (0.67) GSK3BMAPK1CASP1MAPK3CYP2C9
SCHEMBL4848467 0.83 GSK3B (0.66) GSK3BMAPK1CASP1CYP2C9ROCK2
SCHEMBL5231880 0.82 GSK3B (0.81) GSK3BMAPK1CASP1MAPK3ROCK2
SCHEMBL4856282 0.81 GSK3B (0.69) GSK3BMAPK1CASP1MAPK3CYP2C9
SCHEMBL4847300 0.81 GSK3B (0.60) GSK3BMAPK1CASP1MAPK3ROCK2
SCHEMBL4847289 0.81 GSK3B (0.62) GSK3BMAPK1CASP1MAPK3CYP2C9

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 3708/4885MAPK1 3123/4885CASP1 3371/4885

“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.