SCHEMBL2081095

SCHEMBL2081095

CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ccccc3)c2)n(-c2ccc3c(c2)CCNC3)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.60
MAPK12 P53778 13/20 0.59
MAPK14 Q16539 13/20 0.59
MAPK13 O15264 12/20 0.59
MAPK11 Q15759 12/20 0.59
BRAF P15056 6/20 0.58
RAF1 P04049 1/20 0.58
LCK P06239 1/20 0.58
RET P07949 1/20 0.58
PDGFRB P09619 1/20 0.58
KIT P10721 1/20 0.58
PDGFRA P16234 1/20 0.58
FLT1 P17948 1/20 0.58
KDR P35968 1/20 0.58
DDR2 Q16832 1/20 0.53
AXL P30530 1/20 0.51

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
SCHEMBL2083762 0.94 ABL1 (0.61) ABL1MAPK12MAPK14MAPK13MAPK11
SCHEMBL2081886 0.92 ABL1 (0.58) ABL1MAPK12MAPK14MAPK13MAPK11
SCHEMBL2617032 0.91 MAPK14 (0.66) ABL1MAPK12MAPK14MAPK13MAPK11
SCHEMBL2084082 0.90 ABL1 (0.55) ABL1MAPK12MAPK14MAPK13MAPK11
Hydrochloric Acid SCHEMBL2082177 0.90 MAPK14 (0.64) ABL1MAPK12MAPK14MAPK13MAPK11
SCHEMBL2080852 0.85 MAP3K7 (0.54) ABL1MAPK12MAPK14MAPK13MAPK11
SCHEMBL2079733 0.83 MAPK12 (0.58) MAPK12MAPK14MAPK13MAPK11BRAF
SCHEMBL5055115 0.83 ABL1 (0.64) ABL1MAPK12MAPK14MAPK13BRAF
SCHEMBL3300214 0.82 MAPK14 (0.84) MAPK12MAPK14MAPK13MAPK11BRAF
SCHEMBL2083431 0.82 MAP3K7 (0.54) ABL1MAPK12MAPK14MAPK13MAPK11

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 ABL1 1/4885MAPK12 160/4885MAPK14 128/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 ABL1 20/4885MAPK12 99/4885MAPK14 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.