SCHEMBL2080795

SCHEMBL2080795

CC(C)(C)c1cc(NC(=O)N[C@H]2CCc3ccccc32)n(-c2ccc(CC(=O)O)cc2)n1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.83
MAPK12 P53778 10/20 0.83
MAPK11 Q15759 10/20 0.83
MAPK13 O15264 9/20 0.83
DDR2 Q16832 2/20 0.55
NTRK1 P04629 2/20 0.49
GAA P10253 1/20 0.47

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
SCHEMBL2080798 1.00 MAPK14 (0.83) MAPK14MAPK12MAPK11MAPK13DDR2
SCHEMBL2084174 0.95 MAPK14 (0.75) MAPK14MAPK12MAPK11MAPK13DDR2
SCHEMBL2084177 0.95 MAPK14 (0.75) MAPK14MAPK12MAPK11MAPK13DDR2
SCHEMBL2084054 0.93 MAPK14 (0.80) MAPK14MAPK12MAPK11MAPK13NTRK1
SCHEMBL2084050 0.93 MAPK14 (0.80) MAPK14MAPK12MAPK11MAPK13NTRK1
SCHEMBL2083249 0.92 MAPK14 (0.80) MAPK14MAPK12MAPK11MAPK13DDR2
SCHEMBL2085026 0.91 MAPK14 (0.83) MAPK14MAPK12MAPK11MAPK13NTRK1
SCHEMBL2085030 0.91 MAPK14 (0.83) MAPK14MAPK12MAPK11MAPK13NTRK1
SCHEMBL22084066 0.89 MAPK14 (0.89) MAPK14MAPK12MAPK11MAPK13DDR2
SCHEMBL2083260 0.89 MAPK14 (0.88) MAPK14MAPK12MAPK11MAPK13NTRK1

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 3 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-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

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 128/4885MAPK12 160/4885MAPK11 242/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885MAPK12 99/4885MAPK11 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.