SCHEMBL2084067

SCHEMBL2084067

CN(C)C(=O)Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.78
DDR2 Q16832 3/20 0.75
MAPK13 O15264 2/20 0.75
MAPK12 P53778 2/20 0.75
MAPK11 Q15759 2/20 0.75
MAPK9 P45984 2/20 0.66
SRC P12931 1/20 0.66
CDK8 P49336 5/20 0.63
RET P07949 4/20 0.63
PDGFRA P16234 3/20 0.63
MAP4K5 Q9Y4K4 2/20 0.63
PAK4 O96013 1/20 0.63
AURKB Q96GD4 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
PRKD3 O94806 1/20 0.62
LRRK2 Q5S007 1/20 0.62
GRK5 P34947 1/20 0.61
PRKX P51817 1/20 0.61
TYRO3 Q06418 1/20 0.61
PRKAA1 Q13131 1/20 0.61

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
SCHEMBL2081969 0.90 MAPK14 (0.84) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL2081965 0.90 MAPK14 (0.83) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL14095664 0.89 MAPK14 (0.87) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL4052247 0.88 MAPK14 (1.00) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL3192778 0.88 MAPK14 (0.85) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL2082141 0.88 MAPK14 (0.76) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL3295864 0.87 MAPK14 (0.84) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL5169247 0.86 MAPK14 (0.80) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL2082021 0.86 MAPK14 (0.86) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL12245431 0.86 MAPK14 (1.00) MAPK14DDR2MAPK13MAPK12MAPK11

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 8 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
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 MAPK14 128/4885DDR2 1099/4885MAPK13 162/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885DDR2 1256/4885MAPK13 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.