SCHEMBL5356732

SCHEMBL5356732

COC(=O)Nc1cc(-c2cn(-c3ccc(=O)[nH]n3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.42
PIK3C3 Q8NEB9 2/20 0.41
NR3C2 P08235 5/20 0.40
MAPK14 Q16539 7/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
FLT4 P35916 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK11 Q15759 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL5354618 0.91 MAPK14 (0.47) MAPK10MAPK14CSNK1DMAPK13MAPK12
SCHEMBL5349463 0.87 CSNK1D (0.43) MAPK10NR3C2MAPK14CSNK1DCSNK1E
SCHEMBL5352675 0.87 MAPK14 (0.52) MAPK10MAPK14MAPK8
SCHEMBL5348254 0.85 MAPK14 (0.45) MAPK10MAPK14CSNK1DCSNK1ECYP3A4
SCHEMBL5357349 0.81 MAPK10 (0.40) MAPK10MAPK14CSNK1DCSNK1ECYP3A4
SCHEMBL5348556 0.80 NR3C2 (0.41) MAPK10NR3C2MAPK14CSNK1DCSNK1E
SCHEMBL5356236 0.80 BRAF (0.40) MAPK10MAPK14CSNK1DCSNK1EMAPK13
Sulfuric Acid SCHEMBL5360109 0.80 MAPK10 (0.39) MAPK10MAPK14CSNK1DCSNK1ECYP3A4
SCHEMBL5352340 0.80 MAPK8 (0.42) MAPK10PIK3C3MAPK14CYP3A4MAPK8
SCHEMBL5354206 0.78 BRAF (0.54) MAPK14CSNK1DCSNK1EMAPK9MAPK13

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 MAPK10 51/4885PIK3C3 99/4885NR3C2 480/4885

“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.