SCHEMBL5360823

SCHEMBL5360823

CC(C)(C)OC(=O)Nc1cc(-c2cn(-c3ccc(Cl)nn3)nc2-c2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 12/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
PDGFRA P16234 1/20 0.45
MAPK14 Q16539 4/20 0.42
BRAF P15056 4/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
RAF1 P04049 1/20 0.41
KCNH2 Q12809 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
SCHEMBL5356232 0.91 CDK9 (0.44) MAPK10CYP3A4CYP2D6PDGFRABRAF
SCHEMBL5352283 0.89 IRAK4 (0.44) MAPK10CYP3A4CYP2D6PDGFRABRAF
SCHEMBL5353292 0.86 IRAK4 (0.39) MAPK10CYP3A4CYP2D6MAPK14BRAF
SCHEMBL5352200 0.86 IRAK4 (0.42) MAPK10CYP3A4CYP2D6MAPK14BRAF
SCHEMBL5354828 0.86 IRAK4 (0.43) CYP3A4MAPK14BRAFIRAK4RAF1
SCHEMBL5347508 0.86 MAPK10 (0.43) MAPK10CYP3A4CYP2D6PDGFRAMAPK14
SCHEMBL5353771 0.85 IRAK4 (0.41) MAPK10CYP3A4CYP2D6BRAFIRAK4
SCHEMBL5354912 0.77 MAPK14 (0.47) MAPK10CYP3A4CYP2D6PDGFRAMAPK14
SCHEMBL5350212 0.76 CDK9 (0.40) MAPK10CYP3A4CYP2D6PDGFRAIRAK4
SCHEMBL5353722 0.76 IRAK4 (0.42) MAPK10CYP3A4CYP2D6MAPK14BRAF

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 51/4885CYP3A4 1756/4885CYP2D6 1412/4885

“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.