SCHEMBL2084183

SCHEMBL2084183

CC(C)(C)c1cc(N)n(-c2cccc(C(N)=O)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.49
SORT1 Q99523 1/20 0.49
MAPK14 Q16539 10/20 0.47
MAPK11 Q15759 6/20 0.47
MAPK13 O15264 5/20 0.47
MAPK12 P53778 5/20 0.47
DDR2 Q16832 3/20 0.47
RIPK2 O43353 2/20 0.47
KLKB1 P03952 1/20 0.45
SRC P12931 2/20 0.45
PARP1 P09874 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
CDK8 P49336 1/20 0.44
MAPK9 P45984 1/20 0.43
ABL1 P00519 1/20 0.43
ABL2 P42684 1/20 0.43
MAPK8 P45983 1/20 0.43
ALDH1A1 P00352 1/20 0.42
JAK2 O60674 1/20 0.41

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
SCHEMBL2082052 0.90 GRN (0.55) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL13532243 0.87 TP53 (0.48) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL2707993 0.87 MAPK14 (0.47) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL2084523 0.87 AOC2 (0.50) GRNSORT1MAPK14MAPK11MAPK13
Hydrochloric Acid SCHEMBL3173855 0.86 TP53 (0.47) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL398334 0.84 ALDH1A1 (0.48) ALDH1A1
SCHEMBL2083583 0.83 MAPK14 (0.60) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL1012342 0.81 MAPK14 (0.50) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL1409752 0.81 GRN (0.46) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL11778309 0.81 ALDH1A1 (0.65) RIPK2PARP1PARP15PARP10ALDH1A1

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
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP 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
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS 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
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO 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 (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 GRN 1550/4885SORT1 2910/4885MAPK14 80/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 GRN 2076/4885SORT1 4153/4885MAPK14 29/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK GRN 3968/4885SORT1 3228/4885MAPK14 128/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 GRN 3157/4885SORT1 4054/4885MAPK14 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.