SCHEMBL4854990

SCHEMBL4854990

CNc1nccc(-c2cc(C(=O)O)c(=O)[nH]n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 4/20 0.46
▸ AURKA O14965 3/20 0.46
▸ TTK P33981 1/20 0.46
▸ INCENP Q9NQS7 1/20 0.46
▸ GSK3B P49841 1/20 0.45
▸ PDPK1 O15530 1/20 0.43
▸ JAK2 O60674 1/20 0.39
▸ MAPK13 O15264 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ AKT3 Q9Y243 4/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ CDC7 O00311 2/20 0.36
▸ TPX2 Q9ULW0 2/20 0.36

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
SCHEMBL2947276 0.86 GSK3B (0.52) AURKBAURKATTKINCENPGSK3B
SCHEMBL5231389 0.83 SORT1 (0.40) GSK3BPIN1
SCHEMBL4857179 0.83 GSK3B (0.65) GSK3BPDPK1CDC7
SCHEMBL4848233 0.82 CAMK2D (0.47) MAPK14CAMK2D
SCHEMBL4848243 0.82 CAMK2D (0.47) MAPK14CAMK2D
SCHEMBL13987047 0.79 GSK3B (0.50) GSK3BAKT3
SCHEMBL4848234 0.79 GSK3B (0.56) GSK3BRAF1AKT3SYK
SCHEMBL13987029 0.77 GSK3B (0.65) GSK3BAKT3
SCHEMBL2946867 0.73 GSK3B (0.49) GSK3BPDPK1
SCHEMBL4855164 0.72 PIN1 (0.66) PIN1

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 10 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 claimed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 — — EP claimed
EP-1611121-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS Aventis Pharma S.A. (FR) 2006-01-04 — — EP claimed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 — — US claimed
WO-2004046130-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-06-03 — — WO claimed
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-1611121-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS Aventis Pharma S.A. (FR) 2006-01-04 — — 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
WO-2004046130-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-06-03 — — WO 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 AURKB 617/4885AURKA 260/4885TTK 3378/4885

“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.

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