SCHEMBL5352803

SCHEMBL5352803

Nc1c(-c2cn(C3=NNC(=O)CC3)nc2-c2ccc(F)cc2)ccnc1CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.35
MAPK14 Q16539 7/20 0.34
CSNK1E P49674 4/20 0.34
NUAK1 O60285 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
LCK P06239 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
GSK3B P49841 1/20 0.34
MAP2K1 Q02750 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
AURKB Q96GD4 1/20 0.34
SRC P12931 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
MAPK11 Q15759 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNH2 Q12809 2/20 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
SCHEMBL5368155 0.88 KDM4E (0.30)
SCHEMBL5353023 0.80 MAPK14 (0.47) CSNK1DMAPK14CSNK1EMAP4K4LCK
SCHEMBL1957450 0.79 CSNK1D (0.41) CSNK1DMAPK14CSNK1ENUAK1ROCK2
SCHEMBL5352793 0.77 MAPK10 (0.39) CSNK1DMAPK14CSNK1EMAPK8MAPK9
SCHEMBL5358770 0.76 BRAF (0.52) CSNK1DMAPK14CSNK1EMAP4K4MAPK9
SCHEMBL1956243 0.74 CSNK1D (0.40) CSNK1DMAPK14CSNK1ESRCBRAF
SCHEMBL5352176 0.70 MAPK14 (0.46) CSNK1DMAPK14GSK3BMAPK11KCNH2
SCHEMBL5353194 0.70 BRAF (0.41) CSNK1DCSNK1EROCK2SRCBRAF
SCHEMBL5353375 0.70 PDE3B (0.43) CSNK1DMAPK14CSNK1ESRCBRAF
Hydrochloric Acid SCHEMBL5353670 0.70 MAPK14 (0.45) CSNK1DMAPK14GSK3BMAPK11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 175/4885MAPK14 39/4885CSNK1E 407/4885

“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.