SCHEMBL5347459

SCHEMBL5347459

CC(=O)Nc1nnc2ccc(-n3cc(-c4ccnc(NC(=O)OC(C)(C)C)c4)c(-c4ccc(F)cc4)n3)nn12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.40
MAPK10 P53779 7/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
KCNH2 Q12809 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
CSNK1D P48730 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL5353510 0.90 MAPK10 (0.39) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL5352686 0.89 KCNH2 (0.38) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL5350862 0.89 IRAK4 (0.39) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL5354865 0.84 CSNK1D (0.38) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL5350912 0.84 NR3C2 (0.39) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL5352200 0.83 IRAK4 (0.42) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL5353722 0.79 IRAK4 (0.42) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL5351806 0.77 MAPK14 (0.47) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL5354467 0.77 IRAK4 (0.35) MAPK14MAPK10RIPK3CSNK1DIRAK4
SCHEMBL5356891 0.77 IRAK4 (0.41) MAPK14MAPK10MAPK13MAPK12MAPK11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US disclosed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US disclosed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP 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-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis CNKSR1, MAPK1, MAPK3 MAPK14 39/4885MAPK10 51/4885MAPK13 35/4885

“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.