SCHEMBL2082479

SCHEMBL2082479

CC(C)(C)c1cc(NC(=O)Nc2cccc(F)c2F)n(-c2ccc3c(c2)CCNC(=O)C3)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.55
MAPK11 Q15759 5/20 0.55
MAPK13 O15264 4/20 0.55
MAPK12 P53778 4/20 0.55
ABL1 P00519 4/20 0.51
DDR2 Q16832 2/20 0.47
SRC P12931 1/20 0.46
MAPK9 P45984 1/20 0.46
ABL2 P42684 1/20 0.46
MAPK8 P45983 1/20 0.46

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
SCHEMBL2617001 0.88 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12ABL1
SCHEMBL2084887 0.88 ABL1 (0.62) MAPK14MAPK11MAPK13MAPK12ABL1
Hydrochloric Acid SCHEMBL2083267 0.88 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12ABL1
SCHEMBL2083570 0.87 MAPK14 (0.65) MAPK14MAPK11ABL1ABL2MAPK8
SCHEMBL2081156 0.84 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPK12ABL1
SCHEMBL2081460 0.81 MAPK14 (0.65) MAPK14MAPK11MAPK13MAPK12ABL1
SCHEMBL2082360 0.80 ABL1 (0.65) MAPK14MAPK11MAPK13MAPK12ABL1
SCHEMBL2082677 0.80 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12ABL1
SCHEMBL2082439 0.79 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12ABL1
SCHEMBL2082685 0.78 ABL1 (0.63) MAPK14MAPK11MAPK13MAPK12ABL1

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 14 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-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 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
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 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 (5 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 MAPK14 1259/4885MAPK11 1280/4885MAPK13 1194/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 MAPK14 1964/4885MAPK11 1384/4885MAPK13 1721/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 MAPK14 1259/4885MAPK11 1280/4885MAPK13 1194/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK MAPK14 128/4885MAPK11 242/4885MAPK13 162/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885MAPK11 189/4885MAPK13 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.