SCHEMBL5353665

SCHEMBL5353665

CN1N=C(n2cc(-c3ccnc(N)c3)c(-c3ccc(F)cc3)n2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.43
KCNH2 Q12809 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
CSNK1D P48730 7/20 0.43
CSNK1E P49674 6/20 0.43
MAPK13 O15264 5/20 0.42
MAPK12 P53778 5/20 0.42
MAPK11 Q15759 5/20 0.42
BRAF P15056 3/20 0.42
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
SRC P12931 2/20 0.39
KDR P35968 2/20 0.39
MAP4K4 O95819 2/20 0.38
MAPK9 P45984 2/20 0.38
CSNK1A1 P48729 2/20 0.38
NUAK1 O60285 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL1957450 0.82 CSNK1D (0.41) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL5354132 0.80 MAPK14 (0.38) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL1956243 0.79 CSNK1D (0.40) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL5352285 0.78 MAPK14 (0.44) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL28757694 0.77 MAPK14 (0.32) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL5348658 0.77 CSNK1D (0.41) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL1555189 0.77 CSNK1D (0.67) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL27618510 0.76 MAPK14 (0.31) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL28754668 0.76 MAPK10 (0.31) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL1957266 0.74 CSNK1D (0.41) MAPK14KCNH2PDE4APDE4BPDE4D

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 MAPK14 39/4885KCNH2 1074/4885PDE4A 1033/4885

“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.