Sugi Predict

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SCHEMBL28913

SCHEMBL28913

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 1/20 0.33
▸ KCNK3 O14649 3/20 0.33
▸ KCNK9 Q9NPC2 3/20 0.33
▸ MTOR P42345 3/20 0.32
▸ RPTOR Q8N122 3/20 0.32
▸ MLST8 Q9BVC4 3/20 0.32
▸ DGAT1 O75907 2/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ RET P07949 3/20 0.32
▸ PIK3CA P42336 2/20 0.31
▸ SUV39H2 Q9H5I1 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 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
SCHEMBL14316244 0.93 RET (0.34) EIF2AK4KCNK3KCNK9MTORRPTOR
SCHEMBL2147571 0.93 RET (0.34) EIF2AK4KCNK3KCNK9MTORRPTOR
SCHEMBL14298329 0.93 RET (0.34) EIF2AK4KCNK3KCNK9MTORRPTOR
SCHEMBL17399229 0.93 RET (0.34) EIF2AK4KCNK3KCNK9MTORRPTOR
SCHEMBL30766 0.93 RET (0.34) EIF2AK4KCNK3KCNK9MTORRPTOR
SCHEMBL2147933 0.93 RET (0.34) EIF2AK4KCNK3KCNK9MTORRPTOR
SCHEMBL12461414 0.93 RET (0.34) EIF2AK4KCNK3KCNK9MTORRPTOR
SCHEMBL2147546 0.92 EIF2AK4 (0.33) EIF2AK4KCNK3KCNK9MTORRPTOR
SCHEMBL2147553 0.92 EIF2AK4 (0.33) EIF2AK4KCNK3KCNK9MTORRPTOR
SCHEMBL2147425 0.92 TNF (0.33) EIF2AK4KCNK3KCNK9MTORRPTOR

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 7 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-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-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 — — 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 (1 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 280/4885KCNK3 4017/4885KCNK9 4264/4885

“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.