SCHEMBL2689367

SCHEMBL2689367

CC[C@@H]1c2nncn2-c2cnc(-c3cn[nH]c3-c3nccs3)nc2N1c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.56
PLK2 Q9NYY3 7/20 0.56
PLK3 Q9H4B4 1/20 0.51
BRD4 O60885 3/20 0.34
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL1289022 1.00 PLK1 (0.56) PLK1PLK2PLK3BRD4PSEN1
SCHEMBL1289025 1.00 PLK1 (0.56) PLK1PLK2PLK3BRD4PSEN1
SCHEMBL2688932 0.92 PLK1 (0.56) PLK1PLK2PLK3BRD4
SCHEMBL2691234 0.90 PLK1 (0.54) PLK1PLK2PLK3BRD4
SCHEMBL1288414 0.90 PLK1 (0.54) PLK1PLK2PLK3BRD4
SCHEMBL1288492 0.90 PLK1 (0.54) PLK1PLK2PLK3
SCHEMBL1288419 0.90 PLK1 (0.54) PLK1PLK2PLK3BRD4
SCHEMBL1288993 0.90 PLK1 (0.55) PLK1PLK2PLK3BRD4
SCHEMBL1688587 0.88 PLK1 (0.71) PLK1PLK2PLK3BRD4
SCHEMBL1288909 0.88 PLK1 (0.71) PLK1PLK2PLK3BRD4

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 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.