SCHEMBL5354912

SCHEMBL5354912

CC(C)(C)OC(=O)Nc1cc(-c2c[nH]nc2-c2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.47
RXFP1 Q9HBX9 1/20 0.46
TOP2A P11388 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
TGFBR1 P36897 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
MAPK10 P53779 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PDGFRA P16234 1/20 0.39
NR3C2 P08235 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL5349670 0.89 CDK9 (0.42) MAPK14TOP2APIK3C3TGFBR1IRAK4
SCHEMBL5360812 0.88 IRAK4 (0.44) MAPK14PIK3C3TGFBR1IRAK4MAPK10
SCHEMBL5352411 0.83 GSK3B (0.45) MAPK14PIK3C3TGFBR1IRAK4CYP3A4
SCHEMBL5349844 0.83 TGFBR1 (0.40) PIK3C3TGFBR1IRAK4NR3C2
SCHEMBL5353074 0.83 RIPK3 (0.45) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL28757702 0.82 IRAK4 (0.40) PIK3C3TGFBR1IRAK4CYP3A4
SCHEMBL5355784 0.81 IRAK4 (0.42) MAPK14PIK3C3TGFBR1IRAK4CYP3A4
SCHEMBL10129965 0.78 PIK3C3 (0.43) RXFP1PIK3C3TGFBR1IRAK4CYP3A4
SCHEMBL5360823 0.77 MAPK10 (0.45) MAPK14IRAK4MAPK10CYP3A4CYP2D6
SCHEMBL30482567 0.77 KDM4E (0.40) MAPK14RXFP1PIK3C3TGFBR1IRAK4

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 MAPK14 39/4885RXFP1 616/4885TOP2A 2782/4885

“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.