SCHEMBL5354865

SCHEMBL5354865

CC(=O)Nc1nnc2ccc(-n3cc(-c4ccnc(N)c4)c(-c4ccc(F)cc4)n3)nn12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.38
CSNK1E P49674 6/20 0.38
MAPK14 Q16539 10/20 0.37
MAPK13 O15264 3/20 0.37
MAPK12 P53778 3/20 0.37
MAPK11 Q15759 3/20 0.37
KCNH2 Q12809 3/20 0.37
MAPK10 P53779 5/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE4C Q08493 1/20 0.35
TGFBR1 P36897 1/20 0.35
MET P08581 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
SCHEMBL5347459 0.84 MAPK14 (0.40) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL5355173 0.84 MAPK14 (0.41) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5352520 0.84 MAPK14 (0.41) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5349295 0.81 SRC (0.43) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5356860 0.77 CSNK1D (0.38) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5350862 0.76 IRAK4 (0.39) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5347667 0.76 MAPK14 (0.40) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5351806 0.75 MAPK14 (0.47) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL5352285 0.75 MAPK14 (0.44) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5353510 0.73 MAPK10 (0.39) CSNK1DCSNK1EMAPK14MAPK13MAPK12

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 CSNK1D 175/4885CSNK1E 407/4885MAPK14 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.