SCHEMBL6894476

SCHEMBL6894476

Cc1ccc2ncc(-c3cnn4c3nc(C3CCS(=O)(=O)CC3)c3c(C)n[nH]c34)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.34
RPTOR Q8N122 3/20 0.34
MLST8 Q9BVC4 3/20 0.34
PIK3CA P42336 1/20 0.31
HSP90AA1 P07900 1/20 0.30
PLAT P00750 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
SCHEMBL10328276 0.92 KDM4E (0.34) MTORRPTORMLST8PLAT
SCHEMBL6892192 0.91 PIK3CA (0.38) MTORRPTORMLST8PIK3CAHSP90AA1
SCHEMBL6893520 0.86 MTOR (0.42) MTORRPTORMLST8PIK3CAHSP90AA1
SCHEMBL6893527 0.85 HSP90AA1 (0.31) MTORRPTORMLST8PIK3CAHSP90AA1
SCHEMBL6891861 0.85 MTOR (0.42) MTORRPTORMLST8PIK3CAHSP90AA1
SCHEMBL10234759 0.81 CHEK1 (0.43) PIK3CAHSP90AA1
SCHEMBL10234416 0.81 KDR (0.35) MTORPIK3CAHSP90AA1
SCHEMBL6890896 0.80 MTOR (0.52) MTORRPTORMLST8
SCHEMBL10328266 0.80 HSP90AA1 (0.36) MTORRPTORMLST8PIK3CAHSP90AA1
SCHEMBL6890546 0.80 PIK3CA (0.38) MTORRPTORMLST8PIK3CAHSP90AA1

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.