SCHEMBL2084887

SCHEMBL2084887

CC(C)(C)c1cc(NC(=O)Nc2cccc(F)c2F)n(-c2ccc3c(c2)CCNC3)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.62
MAPK14 Q16539 18/20 0.58
MAPK11 Q15759 6/20 0.58
MAPK13 O15264 5/20 0.58
MAPK12 P53778 5/20 0.58
DDR2 Q16832 2/20 0.49
SRC P12931 1/20 0.47
MAPK9 P45984 1/20 0.47
ABL2 P42684 1/20 0.47
MAPK8 P45983 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
SCHEMBL2082360 0.92 ABL1 (0.65) ABL1MAPK14MAPK11MAPK13MAPK12
SCHEMBL2083800 0.89 ABL1 (0.67) ABL1MAPK14MAPK11MAPK13MAPK12
SCHEMBL2082479 0.88 MAPK14 (0.55) ABL1MAPK14MAPK11MAPK13MAPK12
SCHEMBL2083128 0.87 ABL1 (0.69) ABL1MAPK14MAPK11MAPK13MAPK12
SCHEMBL2617001 0.87 MAPK14 (0.58) ABL1MAPK14MAPK11MAPK13MAPK12
Hydrochloric Acid SCHEMBL2083267 0.86 MAPK14 (0.58) ABL1MAPK14MAPK11MAPK13MAPK12
SCHEMBL2081221 0.86 ABL1 (0.72) ABL1MAPK14MAPK11ABL2MAPK8
SCHEMBL2617032 0.84 MAPK14 (0.66) ABL1MAPK14MAPK11MAPK13MAPK12
Hydrochloric Acid SCHEMBL2082177 0.83 MAPK14 (0.64) ABL1MAPK14MAPK11MAPK13MAPK12
SCHEMBL2617008 0.83 MAPK14 (0.68) MAPK14MAPK11MAPK13MAPK12DDR2

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 6 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
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 128/4885MAPK11 242/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 ABL1 20/4885MAPK14 100/4885MAPK11 189/4885

“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.