SCHEMBL2080246

SCHEMBL2080246

CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccc3ncccc3c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 1.00
MAPK14 Q16539 16/20 0.72
ABL2 P42684 1/20 0.68
MAPK8 P45983 1/20 0.68
MAPK11 Q15759 1/20 0.68
AXL P30530 1/20 0.65
RAF1 P04049 1/20 0.64
BRAF P15056 1/20 0.64
EPHB2 P29323 1/20 0.64
SRC P12931 1/20 0.62

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
SCHEMBL2080376 0.88 ABL1 (0.79) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL2616952 0.88 MAPK14 (0.80) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL5062231 0.88 ABL1 (0.78) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL2082325 0.86 ABL1 (0.75) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL2083222 0.84 ABL1 (0.79) ABL1MAPK14MAPK11AXLBRAF
SCHEMBL5062052 0.84 ABL1 (0.72) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL5743898 0.84 MAPK14 (1.00) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL2079924 0.84 ABL1 (0.72) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL2083920 0.83 ABL1 (0.80) ABL1MAPK14MAPK11AXLSRC
SCHEMBL2616949 0.83 MAPK14 (1.00) ABL1MAPK14ABL2MAPK8MAPK11

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US claimed
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
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
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

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 1/4885MAPK14 128/4885ABL2 2/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 ABL1 20/4885MAPK14 100/4885ABL2 1/4885

“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.