SCHEMBL45689

SCHEMBL45689

O=C1CCNc2c1c(C1CC3CCC(C1)N3C(=O)c1nnc[nH]1)nc1c(-c3ccc(-c4ccccc4F)nc3)cnn21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.47
RPTOR Q8N122 5/20 0.47
MLST8 Q9BVC4 5/20 0.47
FFAR2 O15552 1/20 0.31
SCD O00767 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
SCHEMBL45585 0.95 MTOR (0.46) MTORRPTORMLST8
SCHEMBL31381 0.92 MTOR (0.56) MTORRPTORMLST8
SCHEMBL15026244 0.92 MTOR (0.47) MTORRPTORMLST8
SCHEMBL15026243 0.91 MTOR (0.48) MTORRPTORMLST8
SCHEMBL39908 0.90 MTOR (0.45) MTORRPTORMLST8
SCHEMBL45650 0.88 MTOR (0.45) MTORRPTORMLST8
SCHEMBL45734 0.87 MTOR (0.47) MTORRPTORMLST8
SCHEMBL45630 0.87 MTOR (0.46) MTORRPTORMLST8
SCHEMBL15026282 0.87 MTOR (0.35) MTORRPTORMLST8SCD
SCHEMBL15026248 0.85 MTOR (0.47) MTORRPTORMLST8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MTOR 1/4885RPTOR 3/4885MLST8 5/4885

“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.