SCHEMBL5229513

SCHEMBL5229513

COc1ccccc1CNC(=O)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.66
ALDH1A1 P00352 6/20 0.54
HPGD P15428 5/20 0.54
ROCK2 O75116 4/20 0.54
PRKCA P17252 1/20 0.54
GRK2 P25098 1/20 0.54
ROCK1 Q13464 3/20 0.52
POLB P06746 2/20 0.52
GAA P10253 2/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
PTPN7 P35236 1/20 0.50
DUSP3 P51452 1/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RCE1 Q9Y256 1/20 0.50
USP2 O75604 1/20 0.48

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 SCHEMBL5660802 0.94 GSK3B (0.61) GSK3BALDH1A1HPGDROCK2PRKCA
SCHEMBL13986958 0.90 LMNA (0.62) GSK3BALDH1A1HPGDROCK2ROCK1
SCHEMBL4853282 0.87 GSK3B (0.65) GSK3BROCK2ROCK1POLBCYP2C9
SCHEMBL4848467 0.86 GSK3B (0.66) GSK3BALDH1A1HPGDROCK2ROCK1
SCHEMBL4848429 0.85 GSK3B (0.67) GSK3BALDH1A1HPGDROCK2PRKCA
SCHEMBL4847310 0.84 GSK3B (0.66) GSK3BROCK2PRKCAGRK2ROCK1
Trifluoroacetic Acid SCHEMBL5657169 0.84 GSK3B (0.61) GSK3BALDH1A1ROCK2ROCK1POLB
SCHEMBL10063130 0.82 HPGD (0.55) ALDH1A1HPGDROCK2PRKCAGRK2
SCHEMBL4854813 0.82 GSK3B (0.66) GSK3BROCK2PRKCAGRK2POLB
SCHEMBL14348309 0.82 GSK3B (0.66) GSK3BROCK2PRKCAGRK2ROCK1

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 3708/4885ALDH1A1 370/4885HPGD 1951/4885

“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.