SCHEMBL5352793

SCHEMBL5352793

O=C1CCC(n2cc(-c3ccnc(NCC(F)(F)F)c3)c(-c3ccc(F)cc3)n2)=NN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.39
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
FLT4 P35916 1/20 0.38
CSNK1D P48730 4/20 0.37
CSNK1E P49674 4/20 0.37
KCNH2 Q12809 2/20 0.37
SRC P12931 2/20 0.37
BRAF P15056 2/20 0.37
KDR P35968 2/20 0.37
MAPK14 Q16539 3/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.34
PDGFRA P16234 1/20 0.34
BUB1 O43683 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5357222 0.89 MAPK10 (0.37) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5352176 0.83 MAPK14 (0.46) MAPK10CSNK1DKCNH2MAPK14MAPK13
Hydrochloric Acid SCHEMBL5353670 0.83 MAPK14 (0.45) MAPK10CSNK1DKCNH2MAPK14MAPK13
SCHEMBL5349303 0.82 GSK3B (0.51) MAPK10MAPK8MAPK14
SCHEMBL1957450 0.82 CSNK1D (0.41) MAPK10MAPK8MAPK9CSNK1DCSNK1E
SCHEMBL5358770 0.79 BRAF (0.52) MAPK9CSNK1DCSNK1EKCNH2SRC
SCHEMBL5348738 0.79 MAPK14 (0.37) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5357349 0.79 MAPK10 (0.40) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL1956243 0.78 CSNK1D (0.40) MAPK10CSNK1DCSNK1EKCNH2SRC
SCHEMBL5352803 0.77 CSNK1D (0.35) MAPK8MAPK9CSNK1DCSNK1EKCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP claimed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US claimed
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 claimed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP claimed
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 MAPK10 51/4885MAPK8 18/4885MAPK9 5/4885

“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.