SCHEMBL6891281

SCHEMBL6891281

CCO/C=C\c1c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n2ncc(-c3ccc(-c4ccccc4)nc3)c2nc1[C@H]1CC[C@H](C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.36
MTOR P42345 2/20 0.36
RPTOR Q8N122 2/20 0.36
MLST8 Q9BVC4 2/20 0.36

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
SCHEMBL10328252 0.93 DGAT1 (0.38) DGAT1MTORRPTORMLST8
SCHEMBL1023126 0.93 DGAT1 (0.38) DGAT1MTORRPTORMLST8
SCHEMBL2725210 0.92 DGAT1 (0.38) DGAT1MTORRPTORMLST8
SCHEMBL10277454 0.91 GPR119 (0.38) DGAT1MTORRPTORMLST8
SCHEMBL10277457 0.91 GPR119 (0.38) DGAT1MTORRPTORMLST8
SCHEMBL10277456 0.91 GPR119 (0.38) DGAT1MTORRPTORMLST8
SCHEMBL15807825 0.89 MTOR (0.43) DGAT1MTORRPTORMLST8
SCHEMBL14661102 0.89 MTOR (0.43) DGAT1MTORRPTORMLST8
SCHEMBL1082162 0.89 DGAT1 (0.43) DGAT1MTORRPTORMLST8
SCHEMBL1082158 0.89 DGAT1 (0.43) DGAT1MTORRPTORMLST8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR DGAT1 3898/4885MTOR 1/4885RPTOR 3/4885

“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.