SCHEMBL2078660

SCHEMBL2078660

CC(C)(C)OC(=O)n1ccc2cc(-n3nc(C(C)(C)C)cc3C(=O)O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 6/20 0.54
SORT1 Q99523 6/20 0.54
PIK3CD O00329 2/20 0.44
ABL1 P00519 2/20 0.44
EGFR P00533 2/20 0.44
HCK P08631 2/20 0.44
SRC P12931 2/20 0.44
KDR P35968 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
MTOR P42345 2/20 0.44
PIK3CG P48736 2/20 0.44
EPHB4 P54760 2/20 0.44
PRKDC P78527 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
KDM4E B2RXH2 2/20 0.41
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
MAPK14 Q16539 3/20 0.39

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
SCHEMBL2083234 0.80 ALDH1A1 (0.42) GRNSORT1KDM4EMAPK13MAPK12
SCHEMBL6394140 0.75 PIK3CD (0.45) PIK3CDABL1EGFRHCKSRC
SCHEMBL3269495 0.74 PIK3CD (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL2081250 0.74 MAP4K4 (0.49) GRNSORT1LMNAALDH1A1MAPT
SCHEMBL12025210 0.73 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL8533712 0.73 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL1600233 0.73 GRN (0.80) GRNSORT1KDM4EMAPK13MAPK12
SCHEMBL3834511 0.72 HTR6 (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL1273077 0.72 HTR6 (0.49) PIK3CDABL1EGFRHCKSRC
SCHEMBL17859395 0.72 PIK3CB (0.45) PIK3CDABL1EGFRHCKSRC

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 5 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-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 3228/4885PIK3CD 331/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 GRN 3157/4885SORT1 4054/4885PIK3CD 566/4885

“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.