SCHEMBL2083871

SCHEMBL2083871

CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2cc(C(=O)O)c3ccccc3c2)n1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.75
ABL1 P00519 2/20 0.66
MAPK11 Q15759 3/20 0.65
ABL2 P42684 1/20 0.65
MAPK8 P45983 1/20 0.65
MAPK13 O15264 2/20 0.65
MAPK12 P53778 2/20 0.65
RAF1 P04049 1/20 0.61
BRAF P15056 1/20 0.61
EPHB2 P29323 1/20 0.61
DDR2 Q16832 2/20 0.60
SRC P12931 1/20 0.57
MAPK9 P45984 1/20 0.57

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
SCHEMBL2083313 0.93 MAPK14 (0.72) MAPK14ABL1MAPK11ABL2MAPK8
SCHEMBL2083671 0.88 MAPK14 (0.65) MAPK14ABL1MAPK11ABL2MAPK8
SCHEMBL2079911 0.88 MAPK14 (0.72) MAPK14ABL1MAPK11ABL2MAPK8
SCHEMBL2082084 0.88 MAPK14 (0.72) MAPK14ABL1MAPK11ABL2MAPK8
SCHEMBL2083907 0.87 MAPK14 (0.70) MAPK14ABL1MAPK11ABL2MAPK8
SCHEMBL2079532 0.86 MAPK14 (0.69) MAPK14ABL1MAPK11ABL2MAPK8
SCHEMBL2078599 0.86 MAPK14 (0.69) MAPK14ABL1MAPK11ABL2MAPK8
SCHEMBL2616949 0.86 MAPK14 (1.00) MAPK14ABL1MAPK11ABL2MAPK8
SCHEMBL2081611 0.85 MAPK14 (0.68) MAPK14ABL1MAPK11ABL2MAPK8
SCHEMBL2082841 0.85 MAPK14 (0.73) MAPK14ABL1MAPK11ABL2MAPK8

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
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-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
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
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 128/4885ABL1 1/4885MAPK11 242/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885ABL1 20/4885MAPK11 189/4885

“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.