SCHEMBL4853282

SCHEMBL4853282

O=C(NCc1ccccc1OC(F)(F)F)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.65
HSD17B13 Q7Z5P4 2/20 0.52
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 1/20 0.45
EPHX2 P34913 5/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2J2 P51589 2/20 0.45
MAPK1 P28482 1/20 0.45
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 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 SCHEMBL5657169 0.96 GSK3B (0.61) GSK3BHSD17B13MAPK13MAPK12MAPK11
SCHEMBL5229513 0.87 GSK3B (0.66) GSK3BROCK2ROCK1CYP2C9POLB
Trifluoroacetic Acid SCHEMBL5660802 0.87 GSK3B (0.61) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL4854813 0.85 GSK3B (0.66) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL14348309 0.85 GSK3B (0.66) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL4848429 0.83 GSK3B (0.67) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL4853063 0.82 GSK3B (0.59) GSK3BROCK2ROCK1EPHX2
SCHEMBL4853151 0.82 ROCK2 (0.64) GSK3BMAPK14ROCK2ROCK1CYP2C9
Trifluoroacetic Acid SCHEMBL5658531 0.82 GSK3B (0.61) GSK3BMAPK13MAPK12MAPK11MAPK14
Trifluoroacetic Acid SCHEMBL5658947 0.82 GSK3B (0.61) GSK3BMAPK13MAPK12MAPK11MAPK14

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 4 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
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 3708/4885HSD17B13 752/4885MAPK13 3247/4885

“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.