SCHEMBL2083389

SCHEMBL2083389

C=C(C)OC(=O)c1cc(C(C)(C)C)nn1-c1cccc(CC(=O)OCC)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 2/20 0.43
▸ SORT1 Q99523 2/20 0.43
▸ MAPK14 Q16539 10/20 0.42
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ EPHB2 P29323 1/20 0.40
▸ KLKB1 P03952 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ DDR2 Q16832 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36

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
SCHEMBL2616944 0.84 MAPK14 (0.51) MAPK14RAF1BRAFEPHB2HPGD
SCHEMBL2084851 0.81 MAPK14 (0.47) GRNSORT1MAPK14RAF1BRAF
SCHEMBL2928086 0.80 ALDH1A1 (0.46) GRNSORT1HPGDNTRK1ALDH1A1
SCHEMBL15519630 0.79 GRN (0.50) GRNSORT1MAPK14RAF1BRAF
SCHEMBL15516042 0.79 GRN (0.49) GRNSORT1MAPK14RAF1BRAF
SCHEMBL15517497 0.76 GRN (0.46) GRNSORT1MAPK14KLKB1SCN9A
SCHEMBL16749217 0.76 GRN (0.53) GRNSORT1MAPK14KLKB1DDR2
SCHEMBL15517667 0.75 GRN (0.46) GRNSORT1MAPK14KLKB1SCN9A
SCHEMBL12705321 0.74 GRN (0.68) GRNSORT1HPGDNTRK1ALDH1A1
SCHEMBL4434009 0.74 GRN (0.51) GRNSORT1MAPK14SCN9AALDH1A1

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 6 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-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
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 3228/4885MAPK14 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.

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