SCHEMBL30766

SCHEMBL30766

CC(C)(C)OC(=O)N1C2CCC1CC(c1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(Cl)nc4)c3n1)C2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.34
GPR119 Q8TDV5 3/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.33
KCNK3 O14649 5/20 0.33
KCNK9 Q9NPC2 5/20 0.33
MTOR P42345 2/20 0.32
RPTOR Q8N122 2/20 0.32
MLST8 Q9BVC4 2/20 0.32
DGAT1 O75907 2/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL14316244 1.00 RET (0.34) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL12461414 1.00 RET (0.34) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL14298329 1.00 RET (0.34) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL2147933 1.00 RET (0.34) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL17399229 1.00 RET (0.34) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL2147571 1.00 RET (0.34) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL28913 0.93 EIF2AK4 (0.33) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL2147546 0.92 EIF2AK4 (0.33) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL2147553 0.92 EIF2AK4 (0.33) RETGPR119SUV39H2EIF2AK4KCNK3
SCHEMBL14298636 0.92 EIF2AK4 (0.32) RETGPR119SUV39H2EIF2AK4KCNK3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608668-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2016-06-01 EP disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
EP-2608668-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN Merck Sharp & Dohme Corp. (US) 2013-07-03 EP disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 WO disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 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-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MTOR, RICTOR, RPTOR RET 506/4885GPR119 3605/4885SUV39H2 2712/4885
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 RET 148/4885GPR119 1809/4885SUV39H2 1118/4885

“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.