SCHEMBL5360598

SCHEMBL5360598

CC(C)(C)OC(=O)Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccccc2F)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.37
TGFBR1 P36897 1/20 0.35
CDK9 P50750 1/20 0.35
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
MAPK10 P53779 6/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
FLT4 P35916 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CDK8 P49336 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GSK3B P49841 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5349288 0.91 IRAK4 (0.40) IRAK4TGFBR1MAPK10MAPTKMT2A
SCHEMBL5354467 0.90 IRAK4 (0.35) IRAK4TGFBR1CDK9CSNK1DCSNK1E
SCHEMBL5350912 0.90 NR3C2 (0.39) IRAK4CDK9CSNK1DCSNK1EMAPK10
SCHEMBL5350212 0.89 CDK9 (0.40) IRAK4TGFBR1CDK9CSNK1DCSNK1E
SCHEMBL5346919 0.87 IRAK4 (0.39) IRAK4TGFBR1CDK9CSNK1DCSNK1E
SCHEMBL5347508 0.87 MAPK10 (0.43) IRAK4MAPK10CYP3A4CYP2D6MAPK8
SCHEMBL5353771 0.85 IRAK4 (0.41) IRAK4TGFBR1CDK9MAPK10CYP3A4
SCHEMBL5348556 0.82 NR3C2 (0.41) TGFBR1CSNK1DCSNK1EMAPK10CYP3A4
SCHEMBL5353942 0.79 MAPK10 (0.39) CSNK1DCSNK1EMAPK10CYP3A4CYP2D6
SCHEMBL5355473 0.78 FPR2 (0.35) CSNK1DCSNK1EMAPK10MAPK8MAPK9

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 IRAK4 106/4885TGFBR1 1215/4885CDK9 100/4885

“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.