SCHEMBL2689746

SCHEMBL2689746

CC[C@@]12COCCN1c1nc(-c3snnc3-c3ccc(F)cc3F)ncc1-n1cnnc12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.32
MTOR P42345 1/20 0.30
RICTOR Q6R327 1/20 0.30
MAPKAP1 Q9BPZ7 1/20 0.30
MLST8 Q9BVC4 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
SCHEMBL1688691 1.00 MAPK14 (0.32) MAPK14MTORRICTORMAPKAP1MLST8
SCHEMBL1688676 0.89 MAPK14 (0.31) MAPK14MTORRICTORMAPKAP1MLST8
SCHEMBL2690354 0.89 MAPK14 (0.31) MAPK14MTORRICTORMAPKAP1MLST8
SCHEMBL2691221 0.89
SCHEMBL2690431 0.89
SCHEMBL2049048 0.86 PLK1 (0.37) MAPK14MTORRICTORMAPKAP1MLST8
SCHEMBL2336446 0.86 PLK1 (0.37) MAPK14MTORRICTORMAPKAP1MLST8
SCHEMBL2049045 0.86 PLK1 (0.37) MAPK14MTORRICTORMAPKAP1MLST8
SCHEMBL2691733 0.85 TRPM8 (0.33) MTORRICTORMAPKAP1MLST8
SCHEMBL2689184 0.85 TRPM8 (0.33) MTORRICTORMAPKAP1MLST8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 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 (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-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H MAPK14 883/4885MTOR 594/4885RICTOR 2609/4885

“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.