SCHEMBL1688532

SCHEMBL1688532

CC[C@@]12COCCN1c1nc(-c3ccncc3-c3ccccc3)ncc1-n1c(C)nnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
MTOR P42345 13/20 0.33
RICTOR Q6R327 13/20 0.33
MAPKAP1 Q9BPZ7 13/20 0.33
MLST8 Q9BVC4 13/20 0.33
CYP2C8 P10632 5/20 0.33
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.32
RPTOR Q8N122 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL2688281 1.00 GAA (0.34) GAATRPM8MTORRICTORMAPKAP1
SCHEMBL1688480 0.87 MEN1 (0.35) GAATRPM8MTORRICTORMAPKAP1
SCHEMBL5931041 0.87 MTOR (0.33) GAATRPM8MTORRICTORMAPKAP1
SCHEMBL2689683 0.87 MTOR (0.33) GAATRPM8MTORRICTORMAPKAP1
SCHEMBL1688476 0.87 MEN1 (0.35) GAATRPM8MTORRICTORMAPKAP1
SCHEMBL1289117 0.85 MEN1 (0.35) GAATRPM8MTORRICTORMAPKAP1
SCHEMBL1688690 0.85 MEN1 (0.35) GAATRPM8MTORRICTORMAPKAP1
SCHEMBL2052899 0.82 MTOR (0.40) MTORRICTORMAPKAP1MLST8CYP2C8
SCHEMBL2051995 0.82 MTOR (0.40) MTORRICTORMAPKAP1MLST8CYP2C8
SCHEMBL2051996 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 4 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
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 WO 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 GAA 1094/4885TRPM8 4394/4885MTOR 594/4885

“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.