SCHEMBL2147277

SCHEMBL2147277

CC(C)(C)OC(=O)N1C2COCC1CC(c1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n1)C2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.34
KCNK9 Q9NPC2 2/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34
GPR119 Q8TDV5 2/20 0.32
SUV39H2 Q9H5I1 1/20 0.30

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
SCHEMBL15807822 0.93 EIF2AK4 (0.38) KCNK3KCNK9EIF2AK4GPR119SUV39H2
SCHEMBL31146 0.93 EIF2AK4 (0.38) KCNK3KCNK9EIF2AK4GPR119SUV39H2
SCHEMBL14298952 0.93 EIF2AK4 (0.38) KCNK3KCNK9EIF2AK4GPR119SUV39H2
SCHEMBL2147396 0.92 EIF2AK4 (0.41) KCNK3KCNK9EIF2AK4GPR119SUV39H2
SCHEMBL2148107 0.91 EIF2AK4 (0.33) EIF2AK4
SCHEMBL30844 0.86 KCNK3 (0.30) KCNK3KCNK9
SCHEMBL2147516 0.84 KCNK3 (0.31) KCNK3KCNK9
SCHEMBL595760 0.84 KDM4E (0.42) GPR119
SCHEMBL2148045 0.84 CHRM2 (0.32) EIF2AK4GPR119SUV39H2
SCHEMBL2680819 0.83 TRPV3 (0.39) GPR119

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 14 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-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
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-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-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
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US 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 KCNK3 4017/4885KCNK9 4264/4885EIF2AK4 280/4885
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 KCNK3 2309/4885KCNK9 1797/4885EIF2AK4 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.