SCHEMBL2689230

SCHEMBL2689230

CCC12COCCN1c1nc(CC(=O)c3ccccc3)ncc1-n1c(C)nnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
MTOR P42345 10/20 0.33
PIK3CA P42336 3/20 0.33
RICTOR Q6R327 8/20 0.32
MAPKAP1 Q9BPZ7 8/20 0.32
MLST8 Q9BVC4 8/20 0.32
CYP2C8 P10632 4/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
BRD4 O60885 2/20 0.31
PLK1 P53350 2/20 0.31
RPTOR Q8N122 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2C9 P11712 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 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
SCHEMBL2690501 0.88 BCHE (0.34) BCHEACHEBRD4PLK1
SCHEMBL2688281 0.78 GAA (0.34) MTORRICTORMAPKAP1MLST8CYP2C8
SCHEMBL2688782 0.76 TRPM8 (0.35) MTORPIK3CARICTORMAPKAP1MLST8
SCHEMBL2691232 0.74 BCHE (0.34) BCHEACHE
SCHEMBL1288653 0.74 GRM5 (0.34)
SCHEMBL1688396 0.72 GRM5 (0.32)
SCHEMBL2343135 0.71 BCHE (0.36) BCHEACHEALDH1A1MAPTKMT2A
SCHEMBL2343142 0.71 BCHE (0.36) BCHEACHEALDH1A1MAPTKMT2A
SCHEMBL2345268 0.71 BCHE (0.35) BCHEACHEALDH1A1MAPTKMT2A
SCHEMBL2690643 0.70 PLK1 (0.44) 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 2 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

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 BCHE 3133/4885ACHE 2386/4885MTOR 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.