SCHEMBL6891055

SCHEMBL6891055

C=C(OCC)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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.39
MTOR P42345 2/20 0.35
RPTOR Q8N122 2/20 0.35
MLST8 Q9BVC4 2/20 0.35
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
NFKB1 P19838 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 1/20 0.32
STAT1 P42224 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR119 Q8TDV5 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1023125 0.93 DGAT1 (0.40) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL10237617 0.91 DGAT1 (0.38) DGAT1MTORRPTORMLST8
SCHEMBL30596 0.91 GPR119 (0.41) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL2725210 0.90 DGAT1 (0.38) DGAT1MTORRPTORMLST8
SCHEMBL15807499 0.89 MTOR (0.43) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL31044 0.89 MTOR (0.43) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL2147700 0.89 MTOR (0.43) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL15026286 0.89 DGAT1 (0.37) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL1074879 0.88 DGAT1 (0.49) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL6889988 0.88 DGAT1 (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
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.