SCHEMBL4856582

SCHEMBL4856582

O=C(NCc1ccc(Cl)cc1)c1cc(-c2cn[nH]c2)n[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.66
ROCK2 O75116 10/20 0.53
ROCK1 Q13464 9/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.44
PDPK1 O15530 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NHERF1 O14745 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
SCHEMBL4848658 0.85 GSK3B (0.68) GSK3BMAPTLMNATP53MEN1
SCHEMBL4856682 0.84 GSK3B (0.69) GSK3BROCK2ROCK1MAPTLMNA
SCHEMBL4854012 0.84 GSK3B (0.76) GSK3BMAPTLMNATP53MEN1
SCHEMBL4854512 0.83 GSK3B (0.71) GSK3BMAPTLMNATP53MEN1
SCHEMBL4849100 0.82 MAPT (0.77) GSK3BMAPTLMNATP53
SCHEMBL4856002 0.82 GSK3B (0.70) GSK3BMAPTTP53MEN1KMT2A
SCHEMBL4855933 0.82 GSK3B (0.70) GSK3BMAPTLMNATP53PDPK1
SCHEMBL4848893 0.82 GSK3B (0.86) GSK3BROCK2ROCK1MAPTLMNA
SCHEMBL4848425 0.81 GSK3B (0.81) GSK3BMAPTLMNATP53MEN1
SCHEMBL4857443 0.81 GSK3B (0.66) GSK3BMAPTLMNATP53PDPK1

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 9 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
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.