SCHEMBL5349844

SCHEMBL5349844

CC(C)(C)OC(=O)Nc1cc(-c2c[nH]nc2-c2ccccc2F)ccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
PIK3C3 Q8NEB9 6/20 0.39
AAK1 Q2M2I8 3/20 0.39
RIPK3 Q9Y572 1/20 0.37
GSK3B P49841 2/20 0.37
IDO1 P14902 1/20 0.37
NR3C2 P08235 1/20 0.37
MAPT P10636 1/20 0.36
GCK P35557 1/20 0.36
UCHL1 P09936 1/20 0.36
CDK9 P50750 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 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
SCHEMBL5360812 0.89 IRAK4 (0.44) TGFBR1IRAK4PIK3C3AAK1
SCHEMBL5352411 0.88 GSK3B (0.45) TGFBR1IRAK4PIK3C3AAK1RIPK3
SCHEMBL5353074 0.88 RIPK3 (0.45) RIPK3GSK3BNR3C2
SCHEMBL5349670 0.87 CDK9 (0.42) TGFBR1IRAK4PIK3C3AAK1RIPK3
SCHEMBL5355784 0.84 IRAK4 (0.42) TGFBR1IRAK4PIK3C3AAK1GSK3B
SCHEMBL5354912 0.83 MAPK14 (0.47) TGFBR1IRAK4PIK3C3NR3C2
SCHEMBL28757702 0.80 IRAK4 (0.40) TGFBR1IRAK4PIK3C3AAK1RIPK3
SCHEMBL5353771 0.77 IRAK4 (0.41) TGFBR1IRAK4PIK3C3AAK1GSK3B
SCHEMBL13826405 0.76 MAPK14 (0.51) TGFBR1IRAK4AAK1GSK3BNR3C2
SCHEMBL7856992 0.76 ACMSD (0.40) TGFBR1MAPT

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 TGFBR1 1215/4885IRAK4 106/4885PIK3C3 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.