SCHEMBL31146

SCHEMBL31146

CC(C)(C)OC(=O)N1C2CCC1CC(c1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n1)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.34
GPR119 Q8TDV5 7/20 0.33
JAK1 P23458 3/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
KCNK3 O14649 4/20 0.32
KCNK9 Q9NPC2 4/20 0.32
HSD11B1 P28845 1/20 0.32
KAT2B Q92831 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
SCHEMBL15807822 1.00 EIF2AK4 (0.38) EIF2AK4CHRM2CHRM1CHRM3SUV39H2
SCHEMBL14298952 1.00 EIF2AK4 (0.38) EIF2AK4CHRM2CHRM1CHRM3SUV39H2
SCHEMBL2147396 0.97 EIF2AK4 (0.41) EIF2AK4CHRM2CHRM1CHRM3SUV39H2
SCHEMBL2147277 0.93 KCNK3 (0.34) EIF2AK4SUV39H2GPR119KCNK3KCNK9
SCHEMBL2148107 0.93 EIF2AK4 (0.33) EIF2AK4
SCHEMBL2148045 0.90 CHRM2 (0.32) EIF2AK4CHRM2CHRM1CHRM3SUV39H2
SCHEMBL14246192 0.89 CDK2 (0.31)
SCHEMBL2731790 0.89 CDK2 (0.31)
SCHEMBL595760 0.87 KDM4E (0.42) GPR119
SCHEMBL14298953 0.86 CHRM2 (0.35) EIF2AK4CHRM2CHRM1CHRM3SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736338-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2019-01-23 EP disclosed
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-8901142-B2 Fused tricyclic compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-20140171456-A1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-19 US disclosed
EP-2736338-A1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-06-04 EP 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
WO-2013016164-A1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-31 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 EIF2AK4 280/4885CHRM2 4884/4885CHRM1 4881/4885
US-20140171456-A1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPTOR EIF2AK4 104/4885CHRM2 4885/4885CHRM1 4880/4885
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 EIF2AK4 100/4885CHRM2 4537/4885CHRM1 4308/4885

“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.