SCHEMBL2083222

SCHEMBL2083222

CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc3ncccc3c2)n1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.79
AXL P30530 1/20 0.79
SRC P12931 3/20 0.75
MAPK14 Q16539 11/20 0.68
MAPK13 O15264 4/20 0.68
MAPK12 P53778 4/20 0.68
MAPK11 Q15759 4/20 0.68
DDR2 Q16832 3/20 0.68
MAPK9 P45984 1/20 0.68
EPHB4 P54760 1/20 0.66
PTK2 Q05397 1/20 0.58
PTK2B Q14289 1/20 0.58
MAPT P10636 1/20 0.58
BRAF P15056 1/20 0.57

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
SCHEMBL2083920 0.91 ABL1 (0.80) ABL1AXLSRCMAPK14MAPK13
SCHEMBL17122426 0.91 ABL1 (0.79) ABL1AXLSRCMAPK14MAPK13
SCHEMBL19911121 0.88 ABL1 (1.00) ABL1AXLSRCMAPK14MAPK13
SCHEMBL2080237 0.88 MAPK14 (0.73) ABL1AXLSRCMAPK14MAPK13
SCHEMBL17122413 0.87 ABL1 (0.74) ABL1AXLSRCMAPK14MAPK13
SCHEMBL19911115 0.86 ABL1 (1.00) ABL1AXLSRCMAPK14MAPK13
SCHEMBL2080246 0.84 ABL1 (1.00) ABL1AXLSRCMAPK14MAPK11
SCHEMBL2081895 0.83 ABL1 (0.70) ABL1AXLSRCMAPK14MAPK13
SCHEMBL12093783 0.82 ABL1 (0.85) ABL1AXLSRCMAPK14MAPK13
SCHEMBL19911110 0.82 ABL1 (1.00) ABL1AXLSRCMAPK14MAPK13

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 ABL1 1/4885AXL 56/4885SRC 9/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 ABL1 20/4885AXL 117/4885SRC 69/4885

“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.