SCHEMBL5351834

SCHEMBL5351834

CS(=O)(=O)c1nccc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.37
TGFBR1 P36897 1/20 0.36
MAP4K4 O95819 1/20 0.35
EGFR P00533 1/20 0.35
FRK P42685 1/20 0.35
MAPK9 P45984 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 13/20 0.35
CSNK1E P49674 13/20 0.35
PTGS2 P35354 1/20 0.34
MAPK14 Q16539 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
SCHEMBL5355304 0.84 MAPK14 (0.42) TGFBR1MAP4K4EGFRMAPK9CSNK1A1
SCHEMBL5347433 0.84 CSNK1E (0.43) TGFBR1MAP4K4EGFRFRKMAPK9
SCHEMBL5359379 0.83 CTSS (0.37) CTSSTGFBR1MAP4K4MAPK9CSNK1A1
SCHEMBL5356614 0.82 TGFBR1 (0.36) TGFBR1MAP4K4EGFRFRKMAPK9
SCHEMBL5354662 0.80 MAP4K4 (0.38) MAP4K4EGFRFRKMAPK9CSNK1A1
SCHEMBL5356860 0.79 CSNK1D (0.38) CTSSTGFBR1CSNK1DCSNK1EMAPK14
SCHEMBL5359372 0.79 CTSS (0.38) CTSSTGFBR1MAPK9CSNK1DCSNK1E
SCHEMBL5350468 0.77 TGFBR1 (0.41) TGFBR1CSNK1DCSNK1EPTGS2MAPK14
SCHEMBL5356381 0.77 KDR (0.52) TGFBR1MAP4K4EGFRMAPK9CSNK1A1
SCHEMBL5349499 0.76 MAPK14 (0.48) MAP4K4FRKMAPK9CSNK1A1CSNK1D

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 CTSS 3999/4885TGFBR1 1215/4885MAP4K4 46/4885

“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.