SCHEMBL2083392

SCHEMBL2083392

CC(C)(C)c1cc(C(=O)O)n(-c2ccc3nc(N)ccc3c2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.59
SORT1 Q99523 4/20 0.59
KDM4E B2RXH2 2/20 0.45
MAPK13 O15264 4/20 0.43
MAPK12 P53778 4/20 0.43
MAPK11 Q15759 4/20 0.43
MAPK14 Q16539 4/20 0.43
KLKB1 P03952 2/20 0.41
NCK1 P16333 1/20 0.41
BACE1 P56817 1/20 0.41
CDK8 P49336 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RIPK2 O43353 1/20 0.39
ABL1 P00519 3/20 0.38
SRC P12931 1/20 0.38
DDR2 Q16832 1/20 0.38
AXL P30530 1/20 0.38
PLAU P00749 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2025827 0.85 GRN (0.57) GRNSORT1KDM4EMAPK13MAPK12
SCHEMBL2028017 0.81 GRN (0.62) GRNSORT1KDM4EMAPK13MAPK12
SCHEMBL1600233 0.76 GRN (0.80) GRNSORT1KDM4EMAPK13MAPK12
SCHEMBL2081250 0.75 MAP4K4 (0.49) GRNSORT1BACE1LMNAALDH1A1
SCHEMBL1646829 0.75 GRN (1.00) GRNSORT1KDM4EMAPK13MAPK12
SCHEMBL15485403 0.75 GRN (0.72) GRNSORT1KDM4EMAPK13MAPK12
SCHEMBL2084287 0.74 MAPT (0.49) GRNSORT1MAPK13MAPK12MAPK11
SCHEMBL18277669 0.72 GRN (0.72) GRNSORT1KDM4EMAPK13MAPK12
SCHEMBL16749343 0.72 GRN (0.76) GRNSORT1KDM4EMAPK13MAPK12
SCHEMBL2026224 0.72 CYP1A2 (0.50) KDM4EMAPK13MAPK12MAPK11MAPK14

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 10 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
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-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
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
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 (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 GRN 3968/4885SORT1 3228/4885KDM4E 1665/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 GRN 3157/4885SORT1 4054/4885KDM4E 1061/4885

“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.