SCHEMBL5350862

SCHEMBL5350862

CC(C)(C)OC(=O)Nc1cc(-c2cn(-c3ccc4nnc(N)n4n3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
NR3C2 P08235 4/20 0.38
RIPK3 Q9Y572 1/20 0.37
MAPK10 P53779 7/20 0.37
MAPK14 Q16539 6/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK11 Q15759 1/20 0.36
CSNK1D P48730 2/20 0.35
CSNK1E P49674 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
FLT4 P35916 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
CDK9 P50750 1/20 0.35
GSK3B P49841 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 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
SCHEMBL5353510 0.92 MAPK10 (0.39) IRAK4NR3C2RIPK3MAPK10MAPK14
SCHEMBL5352686 0.91 KCNH2 (0.38) IRAK4NR3C2RIPK3MAPK10MAPK14
SCHEMBL5347459 0.89 MAPK14 (0.40) IRAK4RIPK3MAPK10MAPK14MAPK13
SCHEMBL5350912 0.85 NR3C2 (0.39) IRAK4NR3C2RIPK3MAPK10MAPK14
SCHEMBL13504665 0.84 IRAK4 (0.37) IRAK4NR3C2RIPK3CDK9GSK3B
SCHEMBL5352200 0.84 IRAK4 (0.42) IRAK4NR3C2RIPK3MAPK10MAPK14
SCHEMBL5353722 0.80 IRAK4 (0.42) IRAK4NR3C2RIPK3MAPK10MAPK14
SCHEMBL5352520 0.80 MAPK14 (0.41) MAPK10MAPK14MAPK13MAPK12KCNH2
SCHEMBL5354467 0.78 IRAK4 (0.35) IRAK4NR3C2RIPK3MAPK10MAPK14
SCHEMBL5356891 0.78 IRAK4 (0.41) IRAK4NR3C2RIPK3MAPK10MAPK14

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 106/4885NR3C2 480/4885RIPK3 244/4885

“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.