SCHEMBL5356733

SCHEMBL5356733

CN(C(=O)OC(C)(C)C)c1cc(-c2cn(-c3ccc(Cl)nn3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.38
CSNK1E P49674 5/20 0.38
SRC P12931 2/20 0.37
BRAF P15056 2/20 0.37
KDR P35968 2/20 0.37
KCNH2 Q12809 2/20 0.35
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
MAPK10 P53779 4/20 0.33
KAT8 Q9H7Z6 2/20 0.33
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ALOX5 P09917 1/20 0.32
SYK P43405 1/20 0.32
KDM2B Q8NHM5 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL5348174 0.90 CSNK1D (0.39) CSNK1DCSNK1ESRCBRAFKDR
SCHEMBL5347248 0.88 CSNK1D (0.40) CSNK1DCSNK1ESRCBRAFKDR
SCHEMBL5353945 0.84 CSNK1D (0.35) CSNK1DCSNK1ESRCBRAFKDR
SCHEMBL5352200 0.83 IRAK4 (0.42) CSNK1DCSNK1ESRCBRAFKDR
SCHEMBL5356728 0.81 MAPK10 (0.40) CSNK1DCSNK1ESRCBRAFKDR
SCHEMBL5348181 0.80 MAPK14 (0.38) CSNK1DCSNK1ESRCBRAFKDR
SCHEMBL5348178 0.79 MAPK10 (0.43) CSNK1DCSNK1EBRAFKCNH2MAPK13
SCHEMBL5348749 0.78 GRIN2B (0.31) MAPK10
SCHEMBL5352892 0.77 CSNK1D (0.34) CSNK1DCSNK1ESRCBRAFKDR
SCHEMBL5354828 0.76 IRAK4 (0.43) BRAFMAPK13MAPK12MAPK11MAPK14

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 CSNK1D 175/4885CSNK1E 407/4885SRC 216/4885

“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.