SCHEMBL2082852

SCHEMBL2082852

CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccc3c(c2)CNCC3)n1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.69
MAPK14 Q16539 18/20 0.68
ABL2 P42684 1/20 0.65
MAPK8 P45983 1/20 0.65
MAPK11 Q15759 1/20 0.65
RAF1 P04049 1/20 0.61
BRAF P15056 1/20 0.61
EPHB2 P29323 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
SCHEMBL2081221 0.97 ABL1 (0.72) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL2082726 0.95 MAPK14 (0.70) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL2084351 0.87 MAPK14 (0.69) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL2082046 0.87 MAPK14 (0.69) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL2617008 0.86 MAPK14 (0.68) MAPK14MAPK11
SCHEMBL2083570 0.86 MAPK14 (0.65) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL2083944 0.85 MAPK14 (0.66) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL2080621 0.85 MAPK14 (0.66) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL5054807 0.85 MAPK14 (0.68) ABL1MAPK14ABL2MAPK8MAPK11
SCHEMBL2081841 0.84 MAPK14 (0.65) 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 18 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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20080220497-A1 Modulation of protein functionalities DECIPHERA PHARMACEUTICALS LLC 2008-09-11 US disclosed
US-20080220497-A1 Modulation of protein functionalities DECIPHERA PHARMACEUTICALS LLC 2008-09-11 US disclosed
US-20080220497-A1 Modulation of protein functionalities DECIPHERA PHARMACEUTICALS LLC 2008-09-11 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-1907411-A2 MODULATION OF PROTEIN FUNCTIONALITIES Deciphera Pharmaceuticals, LLC. (US) 2008-04-09 EP disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 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
WO-2007008917-A2 MODULATION OF PROTEIN FUNCTIONALITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2007-01-18 WO disclosed
WO-2007008917-A2 MODULATION OF PROTEIN FUNCTIONALITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2007-01-18 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 (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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 ABL1 2/4885MAPK14 80/4885ABL2 1/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 ABL1 174/4885MAPK14 29/4885ABL2 643/4885
US-20080220497-A1 Modulation of protein functionalities C1QBP, SERPINA6, CD2BP2 ABL1 3158/4885MAPK14 2241/4885ABL2 2156/4885
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.