SCHEMBL5353510

SCHEMBL5353510

Cc1nnc2ccc(-n3cc(-c4ccnc(NC(=O)OC(C)(C)C)c4)c(-c4ccc(F)cc4)n3)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
RIPK3 Q9Y572 1/20 0.37
MAPK14 Q16539 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
FLT4 P35916 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
NR3C2 P08235 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK11 Q15759 1/20 0.37
BRD9 Q9H8M2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5350862 0.92 IRAK4 (0.39) MAPK10IRAK4RIPK3MAPK14CYP3A4
SCHEMBL5352686 0.92 KCNH2 (0.38) MAPK10IRAK4RIPK3MAPK14CYP3A4
SCHEMBL5347459 0.90 MAPK14 (0.40) MAPK10IRAK4RIPK3MAPK14MAPK13
SCHEMBL5350912 0.86 NR3C2 (0.39) MAPK10IRAK4RIPK3MAPK14CYP3A4
SCHEMBL5352200 0.85 IRAK4 (0.42) MAPK10IRAK4RIPK3MAPK14CYP3A4
SCHEMBL5353722 0.83 IRAK4 (0.42) MAPK10IRAK4RIPK3MAPK14CYP3A4
SCHEMBL5356891 0.80 IRAK4 (0.41) MAPK10IRAK4RIPK3MAPK14CYP3A4
SCHEMBL5354467 0.80 IRAK4 (0.35) MAPK10IRAK4RIPK3MAPK14CYP3A4
SCHEMBL5350212 0.79 CDK9 (0.40) MAPK10IRAK4CYP3A4CYP2D6FLT4
SCHEMBL5355173 0.79 MAPK14 (0.41) MAPK10MAPK14MAPK13MAPK12KCNH2

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 MAPK10 51/4885IRAK4 106/4885RIPK3 244/4885

“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.