SCHEMBL2080852

SCHEMBL2080852

CC(C)(C)c1cc(NC(=O)Nc2cccc(C#N)c2)n(-c2ccc3c(c2)CCNC3)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.54
ABL1 P00519 2/20 0.52
MAPK14 Q16539 15/20 0.52
MAPK13 O15264 11/20 0.52
MAPK12 P53778 11/20 0.52
MAPK11 Q15759 11/20 0.52
DDR2 Q16832 2/20 0.50
TAB1 Q15750 1/20 0.49
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48
MAPK9 P45984 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
SCHEMBL2083431 0.97 MAP3K7 (0.54) MAP3K7ABL1MAPK14MAPK13MAPK12
SCHEMBL2616972 0.95 MAP3K7 (0.55) MAP3K7MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL2083852 0.94 MAP3K7 (0.54) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2616958 0.94 MAP3K7 (0.56) MAP3K7ABL1MAPK14MAPK13MAPK12
SCHEMBL2617032 0.89 MAPK14 (0.66) ABL1MAPK14MAPK13MAPK12MAPK11
SCHEMBL2616966 0.89 ABL1 (0.55) MAP3K7ABL1MAPK14MAPK13MAPK12
Hydrochloric Acid SCHEMBL2082177 0.88 MAPK14 (0.64) ABL1MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL2083014 0.88 ABL1 (0.54) MAP3K7ABL1MAPK14MAPK13MAPK12
SCHEMBL2616959 0.87 MAP3K7 (0.56) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL14525189 0.87 MAP3K7 (0.56) 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 12 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
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-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 MAP3K7 63/4885ABL1 1/4885MAPK14 128/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAP3K7 22/4885ABL1 20/4885MAPK14 100/4885

“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.