SCHEMBL5367023

SCHEMBL5367023

CN(C(=O)C1CC1)c1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 10/20 0.35
CSNK1E P49674 10/20 0.35
KCNH2 Q12809 2/20 0.34
MAPK14 Q16539 2/20 0.33
GSK3B P49841 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33
TGFBR1 P36897 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
DPP4 P27487 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SRC P12931 1/20 0.32
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32
MAPK10 P53779 2/20 0.32

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
SCHEMBL5353945 0.85 CSNK1D (0.35) CSNK1DCSNK1EKCNH2MAPK14USP30
SCHEMBL5352164 0.83 MAPK14 (0.49) CSNK1DCSNK1EMAPK14GSK3BKDM4E
SCHEMBL13504614 0.83 CSNK1D (0.37) CSNK1DCSNK1EKCNH2MAPK14GSK3B
SCHEMBL5367020 0.81 MAPK10 (0.39) CSNK1DCSNK1EMAPK14GSK3BMAPK10
SCHEMBL5349592 0.80 MAPK14 (0.50) CSNK1DCSNK1EMAPK14GSK3BKDM4E
SCHEMBL5355465 0.79 CSNK1D (0.35) CSNK1DCSNK1EKCNH2MAPK14TGFBR1
SCHEMBL5350468 0.79 TGFBR1 (0.41) CSNK1DCSNK1EKCNH2MAPK14TGFBR1
SCHEMBL5349963 0.79 CSNK1D (0.33) CSNK1DCSNK1EKCNH2MAPK14TGFBR1
SCHEMBL5351806 0.79 MAPK14 (0.47) CSNK1DKCNH2MAPK14GSK3BMAPK13
SCHEMBL5347667 0.78 MAPK14 (0.40) CSNK1DCSNK1EKCNH2MAPK14TGFBR1

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 175/4885CSNK1E 407/4885KCNH2 1074/4885

“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.