SCHEMBL4854813

SCHEMBL4854813

O=C(NCc1ccccc1C(F)(F)F)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.66
MAPK13 O15264 1/20 0.61
MAPK12 P53778 1/20 0.61
MAPK11 Q15759 1/20 0.61
MAPK14 Q16539 1/20 0.61
EPHX2 P34913 4/20 0.48
CYP2C9 P11712 1/20 0.47
PTGES O14684 3/20 0.46
ROCK2 O75116 3/20 0.46
GRK3 P35626 2/20 0.46
PRKCA P17252 2/20 0.46
GRK2 P25098 2/20 0.46
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCH P24723 1/20 0.46
GRK5 P34947 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46

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 SCHEMBL5658947 0.96 GSK3B (0.61) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL14348309 0.88 GSK3B (0.66) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL4853282 0.85 GSK3B (0.65) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL4848429 0.85 GSK3B (0.67) GSK3BMAPK13MAPK12MAPK11MAPK14
Trifluoroacetic Acid SCHEMBL5658531 0.84 GSK3B (0.61) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL4847310 0.84 GSK3B (0.66) GSK3BCYP2C9ROCK2PRKCAGRK2
SCHEMBL4848467 0.84 GSK3B (0.66) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL4854602 0.82 GSK3B (0.63) GSK3BROCK2PRKCAGRK2CASP1
Trifluoroacetic Acid SCHEMBL5657169 0.82 GSK3B (0.61) GSK3BMAPK13MAPK12MAPK11MAPK14
Trifluoroacetic Acid SCHEMBL5660802 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 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 3708/4885MAPK13 3247/4885MAPK12 3114/4885

“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.