SCHEMBL190276

SCHEMBL190276

Cc1nc2cc(B3OC(C)(C)C(C)(C)O3)cnc2n1COCC[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
ALPL P05186 1/20 0.31

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
SCHEMBL23090811 0.83 DGAT1 (0.32) DGAT1AAK1
SCHEMBL25346913 0.81 IRAK4 (0.36)
SCHEMBL29513926 0.81 IRAK4 (0.36)
SCHEMBL15183831 0.80 BRD4 (0.43) DGAT1AAK1
SCHEMBL29600164 0.80 BRD4 (0.43) DGAT1AAK1
SCHEMBL26919614 0.79 IRAK4 (0.38)
SCHEMBL29835702 0.79 IRAK4 (0.38)
SCHEMBL1862432 0.78 DGAT1 (0.30) DGAT1
SCHEMBL1192594 0.78 DGAT1 (0.38) DGAT1
SCHEMBL31221691 0.78 DGAT1 (0.34) DGAT1AAK1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 EP disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 US disclosed
EP-2958897-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2015-12-30 EP disclosed
US-9006255-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006255-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006255-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
EP-2632923-B1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
EP-2632923-B1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-16 US disclosed
US-7893059-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-02-22 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
EP-2207781-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2010-07-21 EP disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
WO-2009042607-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-04-02 WO disclosed
EP-2041139-A2 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-01 EP disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 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 (5 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-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA DGAT1 847/4885AAK1 416/4885ALPL 1416/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA DGAT1 1497/4885AAK1 314/4885ALPL 2778/4885
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB DGAT1 1107/4885AAK1 665/4885ALPL 3082/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 DGAT1 893/4885AAK1 597/4885ALPL 1247/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 DGAT1 893/4885AAK1 597/4885ALPL 1247/4885

“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.