SCHEMBL5353771

SCHEMBL5353771

CC(C)(C)OC(=O)Nc1cc(-c2cn(-c3ccc(Cl)nn3)nc2-c2ccccc2F)ccn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
CDK9 P50750 1/20 0.38
PIK3C3 Q8NEB9 3/20 0.37
TGFBR1 P36897 1/20 0.37
MAPK10 P53779 9/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
RORC P51449 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
FLT4 P35916 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
NR3C2 P08235 1/20 0.34

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
SCHEMBL5352283 0.91 IRAK4 (0.44) IRAK4TGFBR1MAPK10RAF1BRAF
SCHEMBL5353292 0.89 IRAK4 (0.39) IRAK4CDK9PIK3C3TGFBR1MAPK10
SCHEMBL5352200 0.89 IRAK4 (0.42) IRAK4CDK9PIK3C3MAPK10BRAF
SCHEMBL5356232 0.89 CDK9 (0.44) IRAK4CDK9TGFBR1MAPK10RAF1
SCHEMBL5354828 0.87 IRAK4 (0.43) IRAK4CDK9TGFBR1RAF1BRAF
SCHEMBL5360823 0.85 MAPK10 (0.45) IRAK4MAPK10RAF1BRAFCYP3A4
SCHEMBL5360598 0.85 IRAK4 (0.37) IRAK4CDK9PIK3C3TGFBR1MAPK10
SCHEMBL5348749 0.80 GRIN2B (0.31) MAPK10RORC
SCHEMBL5353722 0.79 IRAK4 (0.42) IRAK4CDK9PIK3C3TGFBR1MAPK10
SCHEMBL5356728 0.78 MAPK10 (0.40) MAPK10RAF1BRAFCYP3A4CYP2D6

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 106/4885CDK9 100/4885PIK3C3 99/4885

“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.