SCHEMBL5349463

SCHEMBL5349463

CNc1cc(-c2cn(-c3ccc(=O)[nH]n3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.43
MAPK14 Q16539 6/20 0.43
CSNK1E P49674 4/20 0.43
MAPK11 Q15759 4/20 0.43
KCNH2 Q12809 2/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
SRC P12931 2/20 0.39
BRAF P15056 2/20 0.39
KDR P35968 2/20 0.39
MAPK10 P53779 6/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
FLT4 P35916 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
NR3C2 P08235 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
SCHEMBL5348254 0.90 MAPK14 (0.45) CSNK1DMAPK14CSNK1EMAPK11KCNH2
SCHEMBL5354618 0.89 MAPK14 (0.47) CSNK1DMAPK14MAPK11KCNH2MAPK13
SCHEMBL5356732 0.87 MAPK10 (0.42) CSNK1DMAPK14CSNK1EMAPK11KCNH2
SCHEMBL5357349 0.86 MAPK10 (0.40) CSNK1DMAPK14CSNK1EMAPK11KCNH2
SCHEMBL5356236 0.85 BRAF (0.40) CSNK1DMAPK14CSNK1EMAPK11KCNH2
SCHEMBL5352675 0.85 MAPK14 (0.52) MAPK14MAPK10MAPK8
Sulfuric Acid SCHEMBL5360109 0.82 MAPK10 (0.39) CSNK1DMAPK14CSNK1EMAPK11KCNH2
SCHEMBL5354206 0.82 BRAF (0.54) CSNK1DMAPK14CSNK1EMAPK11MAPK13
SCHEMBL5354079 0.78 MAPK10 (0.38) CSNK1DMAPK14CSNK1EMAPK11KCNH2
SCHEMBL5354329 0.77 CSNK1D (0.42) CSNK1DMAPK14CSNK1EMAPK11KCNH2

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 10 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
CN-100519552-C Pyrazole compounds UBE INDUSTRIES (JP) 2009-07-29 CN 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
CN-1684953-A Pyrazole compounds UBE INDUSTRIES (JP) 2005-10-19 CN 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 CSNK1D 175/4885MAPK14 39/4885CSNK1E 407/4885

“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.