SCHEMBL5348181

SCHEMBL5348181

CC(Nc1cc(-c2cn(-c3ccc(Cl)nn3)nc2-c2ccc(F)cc2)ccn1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.38
CSNK1D P48730 2/20 0.37
CSNK1E P49674 2/20 0.37
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK10 P53779 5/20 0.36
SRC P12931 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
FLT4 P35916 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5352200 0.88 IRAK4 (0.42) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL5356728 0.85 MAPK10 (0.40) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL5355473 0.85 FPR2 (0.35) MAPK14CSNK1DCSNK1EFPR2SCN9A
SCHEMBL5348178 0.84 MAPK10 (0.43) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL5354828 0.81 IRAK4 (0.43) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5356733 0.80 CSNK1D (0.38) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL5353292 0.80 IRAK4 (0.39) MAPK14MAPK10BRAFCYP3A4CYP2D6
SCHEMBL5352283 0.80 IRAK4 (0.44) MAPK10BRAFCYP3A4CYP2D6
SCHEMBL5356232 0.79 CDK9 (0.44) MAPK10BRAFCYP3A4CYP2D6FLT4
SCHEMBL5348174 0.78 CSNK1D (0.39) MAPK14CSNK1DCSNK1EMAPK13MAPK12

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 MAPK14 39/4885CSNK1D 175/4885CSNK1E 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.