SCHEMBL4243488

SCHEMBL4243488

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3F)n[nH]c2NC(C)CCO)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 10/20 0.50
MAPK14 Q16539 9/20 0.50
MAPK13 O15264 8/20 0.50
MAPK12 P53778 7/20 0.50
CYP2C9 P11712 1/20 0.45
ALPL P05186 3/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
GAA P10253 1/20 0.32
CTSA P10619 2/20 0.32
DHODH Q02127 1/20 0.31

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
SCHEMBL5806925 0.87 MAPK11 (0.51) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL4243757 0.87 MAPK11 (0.51) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL4245632 0.87 MAPK11 (0.51) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL4245498 0.87 MAPK13 (0.47) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL4239955 0.84 MAPK11 (0.51) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL4241190 0.83 MAPK11 (0.49) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL4241041 0.82 MAPK11 (0.45) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL4239796 0.82 MAPK11 (0.46) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL4245941 0.82 MAPK11 (0.54) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL4245676 0.82 MAPK11 (0.48) MAPK11MAPK14MAPK13MAPK12CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC (JP) 2009-02-12 US disclosed
EP-1919919-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN Astellas Pharma Inc. (JP) 2008-05-14 EP disclosed
WO-2007026950-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN HRH2, OPRD1, HRH4 MAPK11 1195/4885MAPK14 852/4885MAPK13 1439/4885

“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.