SCHEMBL5349963

SCHEMBL5349963

CC(C)N(C(=O)OC(C)(C)C)c1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.33
CSNK1E P49674 7/20 0.33
TGFBR1 P36897 2/20 0.33
KCNH2 Q12809 2/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
SRC P12931 2/20 0.31
BRAF P15056 2/20 0.31
KDR P35968 2/20 0.31
MAPK10 P53779 1/20 0.31
KDM2B Q8NHM5 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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 0.90 CSNK1D (0.35) CSNK1DCSNK1ETGFBR1KCNH2MAPK13
SCHEMBL5355465 0.89 CSNK1D (0.35) CSNK1DCSNK1ETGFBR1KCNH2MAPK13
SCHEMBL5360116 0.87 CSNK1D (0.36) CSNK1DCSNK1ETGFBR1KCNH2MAPK13
SCHEMBL5355473 0.84 FPR2 (0.35) CSNK1DCSNK1EMAPK14MAPK10
SCHEMBL5350912 0.82 NR3C2 (0.39) CSNK1DCSNK1EKCNH2MAPK13MAPK12
SCHEMBL13504614 0.80 CSNK1D (0.37) CSNK1DCSNK1ETGFBR1KCNH2MAPK13
SCHEMBL5353942 0.80 MAPK10 (0.39) CSNK1DCSNK1EKCNH2MAPK13MAPK12
SCHEMBL5355470 0.79 MAPK10 (0.41) CSNK1DCSNK1EKCNH2MAPK13MAPK12
SCHEMBL5367023 0.79 CSNK1D (0.35) CSNK1DCSNK1ETGFBR1KCNH2MAPK13
SCHEMBL5350468 0.77 TGFBR1 (0.41) CSNK1DCSNK1ETGFBR1KCNH2MAPK13

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 407/4885TGFBR1 1215/4885

“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.