SCHEMBL5348266

SCHEMBL5348266

COc1ccc(CNc2nccc(-c3cn(-c4ccc(=O)[nH]n4)nc3-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.48
DYRK1A Q13627 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
DYRK1B Q9Y463 3/20 0.46
CLK1 P49759 2/20 0.46
CLK2 P49760 2/20 0.46
MAPK13 O15264 3/20 0.45
MAPK12 P53778 3/20 0.45
MAPK11 Q15759 3/20 0.45
RAF1 P04049 2/20 0.45
MAPK9 P45984 1/20 0.45
MKNK1 Q9BUB5 2/20 0.43
MAPK10 P53779 3/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL5349499 0.82 MAPK14 (0.48) MAPK14DYRK1ACLK4DYRK1BCLK1
SCHEMBL5360781 0.78 MAPK14 (0.42) MAPK14CLK4CLK2MAPK13MAPK12
SCHEMBL5354635 0.78 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5354662 0.78 MAP4K4 (0.38) MAPK14MAPK11MAPK9ALDH1A1LMNA
SCHEMBL5257451 0.77 CLK4 (0.58) MAPK14DYRK1ACLK4DYRK1BCLK1
SCHEMBL5920690 0.76 MAP4K4 (0.36) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL14519511 0.74 CLK4 (0.56) MAPK14DYRK1ACLK4DYRK1BCLK1
SCHEMBL5348254 0.73 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5349463 0.71 CSNK1D (0.43) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5356732 0.71 MAPK10 (0.42) MAPK14MAPK13MAPK12MAPK11MAPK9

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 MAPK14 39/4885DYRK1A 1116/4885CLK4 1157/4885

“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.