SCHEMBL45631

SCHEMBL45631

COc1ccc(-c2ccc(-c3cnn4c5c(c(C6CC7CCC(C6)N7C(=O)CO)nc34)C(=O)CCN5)cn2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.40
RPTOR Q8N122 4/20 0.40
MLST8 Q9BVC4 4/20 0.40
MAPK9 P45984 2/20 0.39
MAPKAPK2 P49137 2/20 0.39
PLAT P00750 2/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CCNT1 O60563 4/20 0.35
CDK9 P50750 4/20 0.35
PTGIR P43119 1/20 0.35
PIK3CA P42336 1/20 0.33
BRAF P15056 1/20 0.33
KDM1A O60341 1/20 0.33
ROCK2 O75116 1/20 0.33
RIPK3 Q9Y572 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL15026247 0.93 MTOR (0.42) MTORRPTORMLST8PLATGRIN1
SCHEMBL45733 0.92 MTOR (0.39) MTORRPTORMLST8MAPK9MAPKAPK2
SCHEMBL45650 0.89 MTOR (0.45) MTORRPTORMLST8MAPK9MAPKAPK2
SCHEMBL15026278 0.88 MAPK9 (0.38) MTORRPTORMLST8MAPK9MAPKAPK2
SCHEMBL15026249 0.85 MTOR (0.40) MTORRPTORMLST8GRIN1GRIN2B
SCHEMBL45632 0.84 MTOR (0.42) MTORRPTORMLST8BRAF
SCHEMBL45694 0.83 MTOR (0.40) MTORRPTORMLST8BRAF
SCHEMBL45584 0.83 MTOR (0.41) MTORRPTORMLST8BRAF
SCHEMBL14298355 0.82 MTOR (0.41) MTORRPTORMLST8PLATPIK3CA
SCHEMBL14246498 0.82 MTOR (0.41) MTORRPTORMLST8PLATPIK3CA

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.