Sugi Predict

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SCHEMBL2147472

SCHEMBL2147472

CC(C)(C)OC(=O)N1C2CCC1CC(c1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5c(F)cccc5F)nc4)c3n1)C2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 4/20 0.34
▸ RPTOR Q8N122 4/20 0.34
▸ MLST8 Q9BVC4 4/20 0.34
▸ GPR119 Q8TDV5 11/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.32
▸ BRAF P15056 1/20 0.31
▸ RET P07949 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
SCHEMBL2148081 1.00 MTOR (0.34) MTORRPTORMLST8GPR119JAK2
SCHEMBL12460795 1.00 MTOR (0.34) MTORRPTORMLST8GPR119JAK2
SCHEMBL15007356 0.94 MTOR (0.35) MTORRPTORMLST8GPR119JAK2
SCHEMBL14316249 0.92 SQOR (0.33) MTORRPTORMLST8GPR119JAK2
SCHEMBL14246373 0.92 SQOR (0.33) MTORRPTORMLST8GPR119JAK2
SCHEMBL12461411 0.92 SQOR (0.33) MTORRPTORMLST8GPR119JAK2
SCHEMBL2147414 0.92 SQOR (0.33) MTORRPTORMLST8GPR119JAK2
SCHEMBL30182 0.91 MTOR (0.42) MTORRPTORMLST8GPR119EIF2AK4
SCHEMBL12461161 0.91 MTOR (0.42) MTORRPTORMLST8GPR119EIF2AK4
SCHEMBL12460330 0.91 MTOR (0.42) MTORRPTORMLST8GPR119EIF2AK4

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 8 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-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-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 MTOR 1/4885RPTOR 3/4885MLST8 5/4885
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 MTOR 1/4885RPTOR 4/4885MLST8 35/4885

“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.