SCHEMBL4240657

SCHEMBL4240657

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2N[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC3)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.54
MAPK11 Q15759 3/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK12 P53778 2/20 0.34
MAPK14 Q16539 2/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL4242581 1.00 MAPK13 (0.54) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL13928965 0.84 MAPK13 (0.70) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4240627 0.84 MAPK13 (0.70) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4245997 0.77 MAPK13 (0.63) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4243631 0.77 MAPK13 (0.63) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4760829 0.77 MAPK11 (0.77) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4245583 0.77 MAPK11 (0.77) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4242576 0.76 MAPK13 (0.69) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4236992 0.75 MAPK13 (0.71) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL5799317 0.74 MAPK13 (0.70) MAPK13MAPK11CYP2C9MAPK12MAPK14

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 2 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
US-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC (JP) 2009-02-12 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-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.