SCHEMBL5356891

SCHEMBL5356891

Cc1cc(Cl)nnc1-n1cc(-c2ccnc(NC(=O)OC(C)(C)C)c2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
CDK9 P50750 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
GRM5 P41594 1/20 0.39
CSNK1D P48730 2/20 0.38
CSNK1E P49674 2/20 0.38
MAPK10 P53779 4/20 0.38
NR3C2 P08235 2/20 0.38
MAPK14 Q16539 7/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
KCNH2 Q12809 2/20 0.38
MAPK11 Q15759 2/20 0.38
SRC P12931 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
TGFBR1 P36897 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 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
SCHEMBL5352200 0.87 IRAK4 (0.42) IRAK4CDK9PIK3C3RIPK3GRM5
SCHEMBL5353722 0.86 IRAK4 (0.42) IRAK4CDK9PIK3C3RIPK3GRM5
SCHEMBL5353510 0.80 MAPK10 (0.39) IRAK4RIPK3CSNK1DCSNK1EMAPK10
SCHEMBL5354828 0.80 IRAK4 (0.43) IRAK4CDK9NR3C2MAPK14MAPK13
SCHEMBL5353292 0.79 IRAK4 (0.39) IRAK4CDK9PIK3C3RIPK3MAPK10
SCHEMBL5350912 0.78 NR3C2 (0.39) IRAK4CDK9RIPK3CSNK1DCSNK1E
SCHEMBL5356232 0.78 CDK9 (0.44) IRAK4CDK9MAPK10BRAFTGFBR1
SCHEMBL5352283 0.78 IRAK4 (0.44) IRAK4MAPK10BRAFTGFBR1CYP3A4
SCHEMBL5352686 0.78 KCNH2 (0.38) IRAK4CDK9RIPK3CSNK1DCSNK1E
SCHEMBL5350862 0.78 IRAK4 (0.39) IRAK4CDK9RIPK3CSNK1DCSNK1E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IRAK4 106/4885CDK9 100/4885PIK3C3 99/4885

“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.