SCHEMBL5936768

SCHEMBL5936768

CC[C@@H]1C(=O)Nc2cnc(Cl)nc2N1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 10/20 0.46
PLK2 Q9NYY3 8/20 0.46
PLK3 Q9H4B4 5/20 0.46
BRD4 O60885 1/20 0.42
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL1288243 0.95 PLK1 (0.49) PLK1PLK2PLK3BRD4MAPK1
SCHEMBL30523195 0.95 PLK1 (0.51) PLK1PLK2PLK3BRD4MAPK1
SCHEMBL10319396 0.95 PLK1 (0.51) PLK1PLK2PLK3BRD4MAPK1
SCHEMBL382821 0.95 PLK1 (0.51) PLK1PLK2PLK3BRD4MAPK1
SCHEMBL92593 0.95 PLK1 (0.51) PLK1PLK2PLK3BRD4MAPK1
SCHEMBL1288242 0.95 PLK1 (0.49) PLK1PLK2PLK3BRD4MAPK1
SCHEMBL5936900 0.92 PLK1 (0.43) PLK1PLK2PLK3BRD4MAPK1
SCHEMBL6911026 0.88 PLK1 (0.40) PLK1PLK2PLK3BRD4MAPK1
SCHEMBL5936775 0.88 PLK1 (0.40) PLK1PLK2PLK3BRD4MAPK1
SCHEMBL31098106 0.87 PLK1 (0.44) PLK1PLK2PLK3BRD4MAPK1

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
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 PLK1 1/4885PLK2 19/4885PLK3 55/4885

“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.