SCHEMBL2083679

SCHEMBL2083679

COC(=O)Cc1cc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(C#N)cc2)cc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.54
MAPK13 O15264 14/20 0.54
MAPK12 P53778 14/20 0.54
MAPK11 Q15759 14/20 0.54
RAF1 P04049 2/20 0.50
BRAF P15056 2/20 0.50
NTRK1 P04629 1/20 0.50
NTRK2 Q16620 1/20 0.50
DYRK3 O43781 1/20 0.48
RPS6KB1 P23443 1/20 0.48
MARK3 P27448 1/20 0.48
FRK P42685 1/20 0.48
GSK3B P49841 1/20 0.48
MAP4K2 Q12851 1/20 0.48
STK3 Q13188 1/20 0.48

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
SCHEMBL2082783 0.92 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL2083031 0.91 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL2081670 0.91 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2083451 0.82 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080358 0.82 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11DYRK3
SCHEMBL2083795 0.82 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2078616 0.81 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082919 0.81 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2081370 0.80 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2616998 0.80 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11

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
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP 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
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 128/4885MAPK13 162/4885MAPK12 160/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885MAPK13 118/4885MAPK12 99/4885

“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.