SCHEMBL4245498

SCHEMBL4245498

CCOC(=O)CC(C)Nc1[nH]nc(-c2ccc(F)cc2F)c1-c1ccc(=O)n(-c2ccccc2C)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.47
MAPK11 Q15759 5/20 0.47
MAPK12 P53778 4/20 0.47
MAPK14 Q16539 4/20 0.47
CYP2C9 P11712 1/20 0.39
CTSA P10619 5/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
ALPL P05186 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 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
SCHEMBL4243488 0.87 MAPK11 (0.50) MAPK13MAPK11MAPK12MAPK14CYP2C9
SCHEMBL4239796 0.83 MAPK11 (0.46) MAPK13MAPK11MAPK12MAPK14CYP2C9
SCHEMBL4245632 0.83 MAPK11 (0.51) MAPK13MAPK11MAPK12MAPK14CYP2C9
SCHEMBL4243757 0.83 MAPK11 (0.51) MAPK13MAPK11MAPK12MAPK14CYP2C9
SCHEMBL4239955 0.80 MAPK11 (0.51) MAPK13MAPK11MAPK12MAPK14CYP2C9
SCHEMBL5806925 0.80 MAPK11 (0.51) MAPK13MAPK11MAPK12MAPK14CYP2C9
SCHEMBL4245941 0.78 MAPK11 (0.54) MAPK13MAPK11MAPK12MAPK14CYP2C9
SCHEMBL4241190 0.77 MAPK11 (0.49) MAPK13MAPK11MAPK12MAPK14CYP2C9
SCHEMBL4241336 0.77 MAPK11 (0.45) MAPK13MAPK11MAPK12MAPK14CYP2C9
SCHEMBL4240978 0.77 MAPK11 (0.45) MAPK13MAPK11MAPK12MAPK14CYP2C9

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 1 patent. 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

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 1195/4885MAPK12 1139/4885

“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.