SCHEMBL2079359

SCHEMBL2079359

CC(C)(C)c1cc(NC(=O)Nc2cc(F)cc(F)c2)n(-c2cccc(C#N)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.63
MAPK14 Q16539 18/20 0.59
MAPK13 O15264 12/20 0.59
MAPK12 P53778 12/20 0.59
MAPK11 Q15759 12/20 0.59
DDR2 Q16832 3/20 0.57
MAPK9 P45984 1/20 0.56
SRC P12931 1/20 0.55
TAB1 Q15750 1/20 0.53

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
SCHEMBL2616940 0.93 MAP3K7 (0.64) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080978 0.91 MAP3K7 (0.62) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082517 0.89 MAP3K7 (0.66) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2081910 0.87 MAPK14 (0.57) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082582 0.86 MAPK14 (0.76) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082581 0.86 MAPK14 (0.60) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2083886 0.86 MAPK14 (0.62) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2616943 0.86 MAP3K7 (0.62) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2083118 0.85 MAPK14 (0.70) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082687 0.85 MAP3K7 (0.64) MAP3K7MAPK14MAPK13MAPK12MAPK11

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 6 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
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

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 MAP3K7 63/4885MAPK14 128/4885MAPK13 162/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAP3K7 22/4885MAPK14 100/4885MAPK13 118/4885

“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.