SCHEMBL5353074

SCHEMBL5353074

CC(C)(C)OC(=O)Nc1cc(-c2c[nH]nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 1/20 0.45
NR3C2 P08235 4/20 0.44
MAPK14 Q16539 15/20 0.43
GSK3B P49841 4/20 0.42
CSNK1D P48730 1/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK11 Q15759 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL5360812 0.90 IRAK4 (0.44) MAPK14
SCHEMBL5352411 0.90 GSK3B (0.45) RIPK3NR3C2MAPK14GSK3B
SCHEMBL5355784 0.90 IRAK4 (0.42) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL5349670 0.89 CDK9 (0.42) RIPK3NR3C2MAPK14GSK3B
SCHEMBL5349844 0.88 TGFBR1 (0.40) RIPK3NR3C2GSK3B
SCHEMBL5354912 0.83 MAPK14 (0.47) NR3C2MAPK14MAPK13MAPK12MAPK11
SCHEMBL28757702 0.82 IRAK4 (0.40) RIPK3GSK3B
SCHEMBL27540546 0.82 MAPK14 (0.59) NR3C2MAPK14GSK3BCSNK1DMAPK13
SCHEMBL29974808 0.81 NR3C2 (0.64) RIPK3NR3C2MAPK14GSK3BCSNK1D
SCHEMBL14143256 0.80 MAPK14 (0.45) MAPK14CSNK1DMAPK13MAPK12KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
CN-100519552-C Pyrazole compounds UBE INDUSTRIES (JP) 2009-07-29 CN 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
CN-1684953-A Pyrazole compounds UBE INDUSTRIES (JP) 2005-10-19 CN 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 RIPK3 244/4885NR3C2 480/4885MAPK14 39/4885

“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.