SCHEMBL2081458

SCHEMBL2081458

CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3nccc(-c4cnoc4)n3)c2)n(-c2cccc(CC(N)=O)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.56
BRAF P15056 2/20 0.53
RAF1 P04049 1/20 0.51
EPHB2 P29323 1/20 0.51
SRC P12931 1/20 0.47
SYK P43405 1/20 0.47
GSK3A P49840 1/20 0.47
DDR2 Q16832 2/20 0.46
ABL1 P00519 1/20 0.46
KIT P10721 1/20 0.46
DDR1 Q08345 1/20 0.46
MAPK13 O15264 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
MAPK9 P45984 1/20 0.45

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
SCHEMBL2085107 0.88 MAPK14 (0.63) MAPK14BRAFRAF1EPHB2SRC
SCHEMBL2082697 0.87 MAPK14 (0.54) MAPK14BRAFSRCDDR2ABL1
SCHEMBL2082746 0.83 MAPK14 (0.78) MAPK14BRAFRAF1EPHB2ABL1
SCHEMBL2084061 0.79 MAPK14 (0.65) MAPK14BRAFRAF1EPHB2DDR2
SCHEMBL2616946 0.79 MAPK14 (0.61) MAPK14BRAFRAF1EPHB2SRC
SCHEMBL2083910 0.78 MAPK14 (0.56) MAPK14BRAFRAF1EPHB2ABL1
SCHEMBL2082186 0.78 MAPK14 (0.68) MAPK14BRAFRAF1EPHB2DDR2
SCHEMBL4058783 0.76 MAPK14 (0.69) MAPK14BRAFRAF1EPHB2SRC
SCHEMBL2082457 0.76 BRAF (0.74) MAPK14BRAFABL1KIT
SCHEMBL2083402 0.75 MAPK14 (0.66) MAPK14BRAFRAF1EPHB2SRC

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-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP claimed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US claimed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO claimed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO 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 (2 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK MAPK14 128/4885BRAF 4/4885RAF1 76/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885BRAF 2/4885RAF1 55/4885

“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.