SCHEMBL13227781

SCHEMBL13227781

CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(OCCC(NC)C(=O)OC4CCCC4)cc3)nc2N1C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.60
PLK3 Q9H4B4 15/20 0.60
PLK2 Q9NYY3 15/20 0.60
BRD4 O60885 5/20 0.58
TAF1 P21675 1/20 0.58
PARP1 P09874 2/20 0.54

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
SCHEMBL13227773 0.91 PLK1 (0.61) PLK1PLK3PLK2BRD4TAF1
SCHEMBL375946 0.91 PLK1 (0.61) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376029 0.90 PLK1 (0.54) PLK1PLK3PLK2BRD4TAF1
SCHEMBL13261134 0.90 PLK1 (0.54) PLK1PLK3PLK2BRD4TAF1
SCHEMBL13227769 0.89 PLK1 (0.62) PLK1PLK3PLK2BRD4TAF1
SCHEMBL13227772 0.86 PLK1 (0.58) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376162 0.85 PLK1 (0.65) PLK1PLK3PLK2BRD4TAF1
SCHEMBL27757436 0.83 PLK1 (0.57) PLK1PLK3PLK2BRD4TAF1
SCHEMBL27757440 0.83 PLK1 (0.57) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376078 0.83 PLK1 (0.64) PLK1PLK3PLK2BRD4TAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 PLK1 7/4885PLK3 3/4885PLK2 1/4885

“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.