SCHEMBL5348178

SCHEMBL5348178

CC(C)(C)OC(=O)CCNc1cc(-c2cn(-c3ccc(Cl)nn3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 12/20 0.43
MAPK8 P45983 4/20 0.41
MAPK9 P45984 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
FLT4 P35916 1/20 0.41
CSNK1D P48730 2/20 0.38
CSNK1E P49674 2/20 0.38
BRAF P15056 2/20 0.37
RAF1 P04049 1/20 0.37
MAPK14 Q16539 3/20 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
DGAT2 Q96PD7 1/20 0.37
PDGFRA P16234 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
SCHEMBL5356728 0.92 MAPK10 (0.40) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5352200 0.87 IRAK4 (0.42) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5355470 0.85 MAPK10 (0.41) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5348181 0.84 MAPK14 (0.38) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5354828 0.81 IRAK4 (0.43) MAPK8CYP3A4BRAFRAF1MAPK14
SCHEMBL5353292 0.79 IRAK4 (0.39) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5356733 0.79 CSNK1D (0.38) MAPK10CSNK1DCSNK1EBRAFMAPK14
SCHEMBL5348174 0.79 CSNK1D (0.39) MAPK10CSNK1DCSNK1EBRAFMAPK14
SCHEMBL5352283 0.79 IRAK4 (0.44) MAPK10CYP3A4CYP2D6BRAFRAF1
SCHEMBL5356232 0.79 CDK9 (0.44) MAPK10MAPK8MAPK9CYP3A4CYP2D6

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 51/4885MAPK8 18/4885MAPK9 5/4885

“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.