SCHEMBL6844722

SCHEMBL6844722

CCC12COCCN1c1nc(CC(=O)c3ccccc3)ncc1N(C)C2=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.37
PIK3CA P42336 3/20 0.37
RICTOR Q6R327 12/20 0.36
MAPKAP1 Q9BPZ7 12/20 0.36
MLST8 Q9BVC4 12/20 0.36
CYP2C8 P10632 5/20 0.35
RPTOR Q8N122 2/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
BRD4 O60885 1/20 0.34
PLK1 P53350 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2343135 0.87 BCHE (0.36) BCHEACHEALDH1A1MAPTKMT2A
SCHEMBL2343142 0.87 BCHE (0.36) BCHEACHEALDH1A1MAPTKMT2A
SCHEMBL2345268 0.86 BCHE (0.35) BCHEACHEALDH1A1MAPTKMT2A
SCHEMBL2345731 0.84 MTOR (0.34) MTORPIK3CARICTORMAPKAP1MLST8
SCHEMBL2340763 0.83 PLK1 (0.33) MTORPIK3CARICTORMAPKAP1MLST8
SCHEMBL2689230 0.82 BCHE (0.33) MTORPIK3CARICTORMAPKAP1MLST8
SCHEMBL15235208 0.78 MTOR (0.36) MTORPIK3CARICTORMAPKAP1MLST8
SCHEMBL2048626 0.78 MTOR (0.40) MTORPIK3CARICTORMAPKAP1MLST8
SCHEMBL2049173 0.78 MTOR (0.40) MTORPIK3CARICTORMAPKAP1MLST8
SCHEMBL2051995 0.78 MTOR (0.40) MTORPIK3CARICTORMAPKAP1MLST8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 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 (4 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E MTOR 603/4885PIK3CA 125/4885RICTOR 2502/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E MTOR 548/4885PIK3CA 117/4885RICTOR 2326/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E MTOR 449/4885PIK3CA 100/4885RICTOR 2223/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E MTOR 548/4885PIK3CA 117/4885RICTOR 2326/4885

“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.