SCHEMBL4245986

SCHEMBL4245986

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)n[nH]c2NCC(C)(C)CO)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.53
MAPK11 Q15759 5/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK14 Q16539 7/20 0.39
MAPK12 P53778 4/20 0.39
MAPK9 P45984 7/20 0.35
CSNK1D P48730 7/20 0.35
PRKD2 Q9BZL6 6/20 0.35
LIMK1 P53667 4/20 0.35
RPS6KA3 P51812 1/20 0.35
DYRK1A Q13627 1/20 0.35
FGFR1 P11362 2/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
PRKD3 O94806 5/20 0.34
MAP4K4 O95819 5/20 0.34
CSNK1A1 P48729 5/20 0.34
MAPK8 P45983 4/20 0.34
TAOK1 Q7L7X3 4/20 0.34
CSNK1G2 P78368 4/20 0.34

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
SCHEMBL4246294 0.88 MAPK11 (0.55) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL5812295 0.87 MAPK13 (0.53) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4243633 0.87 MAPK13 (0.49) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL5811657 0.86 MAPK11 (0.54) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL5812461 0.85 MAPK11 (0.51) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4760876 0.84 MAPK13 (0.51) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4245202 0.84 MAPK13 (0.53) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4242028 0.84 MAPK13 (0.48) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL5806880 0.83 MAPK13 (0.50) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4245941 0.83 MAPK11 (0.54) MAPK13MAPK11CYP2C9MAPK14MAPK12

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 MAPK13 1439/4885MAPK11 1195/4885CYP2C9 359/4885

“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.