SCHEMBL6894949

SCHEMBL6894949

[2H]c1c([2H])c([2H])c(-c2ccc(-c3cnn4c3nc(C3CCC([2H])(C([2H])C(=O)O)CC3)c3c(C)n[nH]c34)cn2)c([2H])c1[2H]

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.41
RPTOR Q8N122 3/20 0.41
MLST8 Q9BVC4 3/20 0.41

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
SCHEMBL10328215 0.94 MTOR (0.39) MTORRPTORMLST8
SCHEMBL10328374 0.91 MTOR (0.38) MTORRPTORMLST8
SCHEMBL6893540 0.88 MTOR (0.43) MTORRPTORMLST8
SCHEMBL10328335 0.83 MTOR (0.39) MTORRPTORMLST8
SCHEMBL10328363 0.82 MTOR (0.41) MTORRPTORMLST8
SCHEMBL1072878 0.80 MTOR (0.50) MTORRPTORMLST8
SCHEMBL6892350 0.79 MTOR (0.52) MTORRPTORMLST8
SCHEMBL10277447 0.79 MTOR (0.52) MTORRPTORMLST8
SCHEMBL10328254 0.76 KDM4E (0.34) MTORRPTORMLST8
SCHEMBL1074944 0.76 MTOR (0.50) 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 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
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 US 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 (2 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 MTOR 1/4885RPTOR 3/4885MLST8 14/4885
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 MTOR 1824/4885RPTOR 3265/4885MLST8 2126/4885

“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.