SCHEMBL5352283

SCHEMBL5352283

CC(C)(C)OC(=O)Nc1cc(-c2cn(-c3ccc(Cl)nn3)nc2-c2ccccc2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.44
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
MAPK10 P53779 15/20 0.40
TGFBR1 P36897 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PDGFRA P16234 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
SCHEMBL5354828 0.93 IRAK4 (0.43) IRAK4RAF1BRAFTGFBR1CYP3A4
SCHEMBL5352200 0.91 IRAK4 (0.42) IRAK4BRAFMAPK10CYP3A4CYP2D6
SCHEMBL5356232 0.91 CDK9 (0.44) IRAK4RAF1BRAFMAPK10TGFBR1
SCHEMBL5353771 0.91 IRAK4 (0.41) IRAK4RAF1BRAFMAPK10TGFBR1
SCHEMBL5360823 0.89 MAPK10 (0.45) IRAK4RAF1BRAFMAPK10CYP3A4
SCHEMBL5353292 0.88 IRAK4 (0.39) IRAK4RAF1BRAFMAPK10TGFBR1
SCHEMBL5349288 0.84 IRAK4 (0.40) IRAK4RAF1BRAFMAPK10TGFBR1
SCHEMBL5353722 0.81 IRAK4 (0.42) IRAK4BRAFMAPK10TGFBR1CYP3A4
SCHEMBL5356728 0.80 MAPK10 (0.40) RAF1BRAFMAPK10CYP3A4CYP2D6
SCHEMBL5346919 0.80 IRAK4 (0.39) IRAK4RAF1BRAFTGFBR1

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 IRAK4 106/4885RAF1 4/4885BRAF 19/4885

“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.