SCHEMBL5358770

SCHEMBL5358770

O=C1CCC(n2cc(-c3ccncc3)c(-c3ccc(F)cc3)n2)=NN1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.52
SRC P12931 2/20 0.52
KDR P35968 2/20 0.52
MAPK14 Q16539 9/20 0.50
MAPK13 O15264 4/20 0.50
MAPK12 P53778 4/20 0.50
MAPK11 Q15759 4/20 0.50
CSNK1D P48730 3/20 0.50
CSNK1E P49674 2/20 0.50
PTGS2 P35354 1/20 0.43
KCNH2 Q12809 2/20 0.38
MAP4K4 O95819 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
GCGR P47871 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL1957450 0.85 CSNK1D (0.41) BRAFSRCKDRMAPK14MAPK13
SCHEMBL5353023 0.80 MAPK14 (0.47) KDRMAPK14MAPK13MAPK12MAPK11
SCHEMBL1956243 0.80 CSNK1D (0.40) BRAFSRCKDRMAPK14MAPK13
SCHEMBL5352176 0.80 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11CSNK1D
Hydrochloric Acid SCHEMBL5353670 0.79 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5352793 0.79 MAPK10 (0.39) BRAFSRCKDRMAPK14MAPK13
SCHEMBL5349303 0.79 GSK3B (0.51) MAPK14
SCHEMBL5352803 0.76 CSNK1D (0.35) BRAFSRCKDRMAPK14MAPK13
SCHEMBL5353194 0.75 BRAF (0.41) BRAFSRCKDRCSNK1DCSNK1E
SCHEMBL5353375 0.75 PDE3B (0.43) BRAFSRCKDRMAPK14MAPK13

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 BRAF 19/4885SRC 216/4885KDR 813/4885

“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.