SCHEMBL2689683

SCHEMBL2689683

CC[C@@]12COCCN1c1nc(-c3ccncc3-c3ccccc3)ncc1-n1cnnc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.33
RICTOR Q6R327 8/20 0.33
MAPKAP1 Q9BPZ7 8/20 0.33
MLST8 Q9BVC4 8/20 0.33
CYP2C8 P10632 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP17A1 P05093 1/20 0.30
CYP1A2 P05177 1/20 0.30
RPTOR Q8N122 1/20 0.30
GAA P10253 1/20 0.30
GBA1 P04062 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
SCHEMBL5931041 1.00 MTOR (0.33) MTORRICTORMAPKAP1MLST8CYP2C8
SCHEMBL1688479 0.87 MTOR (0.33) MTORRICTORMAPKAP1MLST8CYP2C8
SCHEMBL2688281 0.87 GAA (0.34) MTORRICTORMAPKAP1MLST8CYP2C8
SCHEMBL1288847 0.87 MTOR (0.33) MTORRICTORMAPKAP1MLST8CYP2C8
SCHEMBL2688192 0.87 MTOR (0.33) MTORRICTORMAPKAP1MLST8CYP2C8
SCHEMBL1688532 0.87 GAA (0.34) MTORRICTORMAPKAP1MLST8CYP2C8
SCHEMBL5934778 0.85 MTOR (0.32) MTORRICTORMAPKAP1MLST8CYP2C8
SCHEMBL5934764 0.85 MTOR (0.32) MTORRICTORMAPKAP1MLST8CYP2C8
SCHEMBL2051996 0.82 MTOR (0.40) MTORRICTORMAPKAP1MLST8CYP2C8
SCHEMBL2051995 0.82 MTOR (0.40) MTORRICTORMAPKAP1MLST8CYP2C8

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 MTOR 594/4885RICTOR 2609/4885MAPKAP1 913/4885

“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.