SCHEMBL6127769

SCHEMBL6127769

CC[C@@H]1c2c(C(=O)O)ncn2-c2cnc(NC)nc2N1C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 18/20 0.59
▸ BRD4 O60885 2/20 0.44
▸ PLK3 Q9H4B4 9/20 0.43
▸ PLK2 Q9NYY3 9/20 0.43
▸ TAF1 P21675 1/20 0.42

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
SCHEMBL74771 0.86 PLK1 (0.53) PLK1BRD4PLK3PLK2TAF1
SCHEMBL92591 0.86 PLK1 (0.53) PLK1BRD4PLK3PLK2
SCHEMBL74216 0.81 PLK1 (0.81) PLK1BRD4PLK3PLK2TAF1
SCHEMBL74215 0.81 PLK1 (0.81) PLK1BRD4PLK3PLK2TAF1
SCHEMBL73871 0.78 PLK1 (0.91) PLK1BRD4PLK3PLK2TAF1
SCHEMBL73872 0.78 PLK1 (0.91) PLK1BRD4PLK3PLK2TAF1
SCHEMBL88828 0.78 PLK1 (0.47) PLK1BRD4PLK3PLK2
SCHEMBL88829 0.78 PLK1 (0.47) PLK1BRD4PLK3PLK2
SCHEMBL384393 0.77 BRD4 (0.68) PLK1BRD4PLK3PLK2TAF1
SCHEMBL384394 0.77 BRD4 (0.68) PLK1BRD4PLK3PLK2TAF1

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-20120122879-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-17 — — 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-20120122879-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 PLK1 33/4885BRD4 928/4885PLK3 373/4885

“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.

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