SCHEMBL4239805

SCHEMBL4239805

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2N(CCCOS(C)(=O)=O)CC3)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.50
MAPK11 Q15759 3/20 0.50
CYP2C9 P11712 1/20 0.50
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
MAPK12 P53778 2/20 0.36
MAPK14 Q16539 2/20 0.36
HRH3 Q9Y5N1 3/20 0.32
PTGS2 P35354 5/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL4240237 0.87 MAPK11 (0.58) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4240574 0.84 MAPK11 (0.58) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL29594918 0.84 MAPK11 (0.58) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4243572 0.83 MAPK13 (0.51) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4245919 0.83 MAPK13 (0.55) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4239791 0.82 MAPK13 (0.59) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4237364 0.82 MAPK13 (0.53) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4241313 0.79 MAPK11 (0.58) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4240677 0.79 CYP2C9 (0.51) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4240662 0.78 MAPK13 (0.56) MAPK13MAPK11CYP2C9FGFR1FGFR2

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
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.