SCHEMBL5359379

SCHEMBL5359379

CS(=O)(=O)c1nccc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.37
TGFBR1 P36897 3/20 0.36
CSNK1D P48730 5/20 0.35
MAPK14 Q16539 6/20 0.34
CSNK1E P49674 2/20 0.34
NUAK1 O60285 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
LCK P06239 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
GSK3B P49841 1/20 0.34
MAP2K1 Q02750 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
AURKB Q96GD4 1/20 0.34
PTGS2 P35354 4/20 0.34
MAPK11 Q15759 4/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 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
SCHEMBL5351834 0.83 CTSS (0.37) CTSSTGFBR1CSNK1DMAPK14CSNK1E
SCHEMBL5356860 0.82 CSNK1D (0.38) CTSSTGFBR1CSNK1DMAPK14CSNK1E
SCHEMBL5347667 0.79 MAPK14 (0.40) TGFBR1CSNK1DMAPK14CSNK1EPTGS2
SCHEMBL5359372 0.78 CTSS (0.38) CTSSTGFBR1CSNK1DMAPK14CSNK1E
SCHEMBL5355304 0.78 MAPK14 (0.42) TGFBR1CSNK1DMAPK14CSNK1EMAP4K4
SCHEMBL5350468 0.77 TGFBR1 (0.41) TGFBR1CSNK1DMAPK14CSNK1EPTGS2
SCHEMBL5354329 0.76 CSNK1D (0.42) TGFBR1CSNK1DMAPK14CSNK1EMAPK11
SCHEMBL5356381 0.76 KDR (0.52) TGFBR1CSNK1DMAPK14CSNK1EMAP4K4
SCHEMBL5354096 0.75 CSNK1D (0.40) TGFBR1CSNK1DMAPK14CSNK1EPTGS2
SCHEMBL5347433 0.74 CSNK1E (0.43) TGFBR1CSNK1DMAPK14CSNK1EMAP4K4

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 3 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

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 CTSS 3999/4885TGFBR1 1215/4885CSNK1D 175/4885

“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.