SCHEMBL4243655

SCHEMBL4243655

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)n[nH]c2NC[C@@H](CO)OCc2ccccc2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.48
MAPK11 Q15759 3/20 0.48
CYP2C9 P11712 2/20 0.48
MAPK14 Q16539 3/20 0.36
MAPK12 P53778 2/20 0.36
ADORA1 P30542 1/20 0.33
TRPC3 Q13507 1/20 0.32
TRPC7 Q9HCX4 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CSNK1D P48730 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
IGF1R P08069 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4240978 0.91 MAPK11 (0.45) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4241336 0.91 MAPK11 (0.45) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4243526 0.86 MAPK13 (0.48) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4760876 0.85 MAPK13 (0.51) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4246031 0.83 MAPK13 (0.49) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4246294 0.83 MAPK11 (0.55) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL5812295 0.82 MAPK13 (0.53) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4242028 0.82 MAPK13 (0.48) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL5811657 0.82 MAPK11 (0.54) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4245941 0.82 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.