SCHEMBL5348556

SCHEMBL5348556

COC(=O)Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.41
TGFBR1 P36897 2/20 0.41
MAPK10 P53779 5/20 0.40
MAPK14 Q16539 5/20 0.40
CSNK1D P48730 6/20 0.39
CSNK1E P49674 6/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
FLT4 P35916 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37

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
SCHEMBL5350912 0.92 NR3C2 (0.39) NR3C2MAPK10MAPK14CSNK1DCSNK1E
SCHEMBL5351806 0.92 MAPK14 (0.47) MAPK10MAPK14CSNK1DMAPK13MAPK12
SCHEMBL5352164 0.88 MAPK14 (0.49) MAPK10MAPK14CSNK1DCSNK1EMAPK8
SCHEMBL13504615 0.87 MAPK10 (0.39) NR3C2TGFBR1MAPK10MAPK14CSNK1D
SCHEMBL5356427 0.87 MAPK14 (0.49) MAPK10MAPK14CSNK1DCSNK1E
SCHEMBL5354329 0.87 CSNK1D (0.42) NR3C2TGFBR1MAPK10MAPK14CSNK1D
SCHEMBL5349592 0.86 MAPK14 (0.50) MAPK10MAPK14CSNK1DCSNK1EMAPK8
SCHEMBL5359372 0.85 CTSS (0.38) NR3C2TGFBR1MAPK10MAPK14CSNK1D
SCHEMBL5353381 0.84 MAPK14 (0.46) TGFBR1MAPK10MAPK14CSNK1DCSNK1E
SCHEMBL5356877 0.84 MAPK14 (0.46) TGFBR1MAPK10MAPK14CSNK1DCSNK1E

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 NR3C2 480/4885TGFBR1 1215/4885MAPK10 51/4885

“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.