SCHEMBL5352371

SCHEMBL5352371

CC(=O)Nc1cc(-c2cn(C3=Nn4cnnc4CC3)nc2-c2ccc(F)c(F)c2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 5/20 0.39
BUB1 O43683 1/20 0.38
MAPK14 Q16539 13/20 0.38
GSK3B P49841 3/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK10 P53779 2/20 0.36
CYP3A4 P08684 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL5354916 0.92 MAPK14 (0.45) MAPK14GSK3BMAPK13MAPK12KCNH2
SCHEMBL5353596 0.91 GSK3B (0.47) PIK3C3BUB1MAPK14GSK3B
SCHEMBL5352395 0.90 PIK3C3 (0.40) PIK3C3BUB1MAPK14MAPK13MAPK12
SCHEMBL5353599 0.84 MAPK10 (0.34) MAPK10CYP3A4
SCHEMBL5355065 0.83 BRAF (0.37) BUB1
SCHEMBL5353919 0.82 MAPK14 (0.47) MAPK14GSK3BMAPK10
SCHEMBL5356960 0.80 GSK3B (0.44) PIK3C3MAPK14GSK3BKCNH2
SCHEMBL5348738 0.76 MAPK14 (0.37) MAPK14MAPK13MAPK12KCNH2MAPK11
SCHEMBL5354132 0.74 MAPK14 (0.38) MAPK14GSK3BMAPK13MAPK12KCNH2
SCHEMBL5358362 0.74 MAPK10 (0.34) BUB1MAPK10CYP3A4

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 PIK3C3 99/4885BUB1 1326/4885MAPK14 39/4885

“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.