SCHEMBL45650

SCHEMBL45650

COc1ccc(-c2ccc(-c3cnn4c5c(c(C6CC7CCC(C6)N7C(=O)c6nnc[nH]6)nc34)C(=O)CCN5)cn2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.45
RPTOR Q8N122 4/20 0.45
MLST8 Q9BVC4 4/20 0.45
MAPK9 P45984 2/20 0.36
MAPKAPK2 P49137 2/20 0.36
PLAT P00750 2/20 0.35
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
FFAR1 O14842 1/20 0.32
PTGIR P43119 1/20 0.32
PIK3CA P42336 2/20 0.31
ROCK2 O75116 2/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
PDE4A P27815 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
SCHEMBL15026248 0.93 MTOR (0.47) MTORRPTORMLST8GRIN1GRIN2B
SCHEMBL39908 0.91 MTOR (0.45) MTORRPTORMLST8
SCHEMBL17787575 0.90 MTOR (0.43) MTORRPTORMLST8MAPK9MAPKAPK2
SCHEMBL45585 0.89 MTOR (0.46) MTORRPTORMLST8
SCHEMBL45631 0.89 MTOR (0.40) MTORRPTORMLST8MAPK9MAPKAPK2
SCHEMBL15026280 0.88 MAPK9 (0.35) MTORRPTORMLST8MAPK9MAPKAPK2
SCHEMBL45689 0.88 MTOR (0.47) MTORRPTORMLST8
SCHEMBL31381 0.88 MTOR (0.56) MTORRPTORMLST8
SCHEMBL15026244 0.88 MTOR (0.47) MTORRPTORMLST8
SCHEMBL10234476 0.88 MTOR (0.34) MTORRPTORMLST8MAPK9MAPKAPK2

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 4 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-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.