SCHEMBL5356381

SCHEMBL5356381

Fc1ccc(-c2nn(-c3ccc4nncn4n3)cc2-c2ccncc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
SRC P12931 2/20 0.52
BRAF P15056 2/20 0.52
MAPK14 Q16539 11/20 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 0.45
TGFBR1 P36897 1/20 0.41
CSNK1A1 P48729 2/20 0.40
MAP4K4 O95819 1/20 0.39
MAPK9 P45984 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
EGFR P00533 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
SCHEMBL5351873 0.88 BRAF (0.43) KDRSRCBRAFMAPK14MAPK13
SCHEMBL5350468 0.87 TGFBR1 (0.41) KDRSRCBRAFMAPK14MAPK13
SCHEMBL5352370 0.87 BRAF (0.41) KDRSRCBRAFMAPK14MAPK13
SCHEMBL5347667 0.85 MAPK14 (0.40) KDRSRCBRAFMAPK14MAPK13
SCHEMBL5354329 0.83 CSNK1D (0.42) KDRSRCBRAFMAPK14MAPK13
SCHEMBL5354096 0.83 CSNK1D (0.40) KDRSRCBRAFMAPK14MAPK13
SCHEMBL5356877 0.81 MAPK14 (0.46) KDRSRCBRAFMAPK14MAPK13
SCHEMBL5353381 0.81 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5355304 0.80 MAPK14 (0.42) KDRMAPK14MAPK13MAPK12MAPK11
SCHEMBL13504614 0.80 CSNK1D (0.37) KDRSRCBRAFMAPK14MAPK13

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

“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.