SCHEMBL2082097

SCHEMBL2082097

CC(C)(C)c1cc(NC(=O)Nc2ccc3c(c2)OCO3)n(-c2cccc(C#N)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.62
TAB1 Q15750 1/20 0.55
MAPK14 Q16539 18/20 0.54
MAPK13 O15264 10/20 0.54
MAPK12 P53778 10/20 0.54
MAPK11 Q15759 10/20 0.54
DDR2 Q16832 4/20 0.54
MAPK9 P45984 1/20 0.54
SRC P12931 1/20 0.52

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
SCHEMBL2081461 0.86 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL4224867 0.86 NPC1 (0.60) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2083034 0.85 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL4299075 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2082517 0.84 MAP3K7 (0.66) MAP3K7TAB1MAPK14MAPK13MAPK12
SCHEMBL2082979 0.83 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2081660 0.83 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2082310 0.83 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2082582 0.83 MAPK14 (0.76) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082943 0.83 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11DDR2

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 15 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
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP 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-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 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-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 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 (4 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 MAP3K7 59/4885TAB1 935/4885MAPK14 80/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 MAP3K7 10/4885TAB1 340/4885MAPK14 29/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK MAP3K7 63/4885TAB1 1037/4885MAPK14 128/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAP3K7 22/4885TAB1 240/4885MAPK14 100/4885

“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.