SCHEMBL6893520

SCHEMBL6893520

Cc1ccc2ncc(-c3cnn4c3nc(C3CCS(=O)(=O)CC3)c3cn[nH]c34)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.42
RPTOR Q8N122 3/20 0.42
MLST8 Q9BVC4 3/20 0.42
SGK1 O00141 3/20 0.34
HSP90AA1 P07900 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
PIK3CA P42336 1/20 0.31
PLAT P00750 1/20 0.30
XDH P47989 1/20 0.30
SLC6A9 P48067 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
SCHEMBL6890478 0.91 MTOR (0.42) MTORRPTORMLST8SGK1PLAT
SCHEMBL6891861 0.88 MTOR (0.42) MTORRPTORMLST8HSP90AA1IRAK4
SCHEMBL6894476 0.86 MTOR (0.34) MTORRPTORMLST8HSP90AA1PIK3CA
SCHEMBL6893527 0.83 HSP90AA1 (0.31) MTORRPTORMLST8HSP90AA1PIK3CA
SCHEMBL10234759 0.81 CHEK1 (0.43) HSP90AA1IRAK4PIK3CA
SCHEMBL10234742 0.80 CHEK1 (0.35) HSP90AA1IRAK4PIK3CA
SCHEMBL10234771 0.80 CHEK1 (0.37) MTORHSP90AA1IRAK4PIK3CA
SCHEMBL10234766 0.79 CHEK1 (0.39) MTORHSP90AA1IRAK4PIK3CA
SCHEMBL10234416 0.79 KDR (0.35) MTORHSP90AA1IRAK4PIK3CA
SCHEMBL10328276 0.79 KDM4E (0.34) MTORRPTORMLST8PLAT

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.