SCHEMBL4934006

SCHEMBL4934006

COC(=O)c1sc(-n2cnc3cc(-c4ccnc(N)c4)ccc32)cc1OC(C)c1ccccc1C(F)(F)F

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 0.86
CYP3A4 P08684 5/20 0.86
CYP2C9 P11712 4/20 0.86
PLK3 Q9H4B4 9/20 0.74

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
SCHEMBL3154915 1.00 PLK1 (0.86) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3577545 0.93 PLK1 (0.89) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3150935 0.93 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL13450938 0.93 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4401446 0.92 PLK1 (0.84) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3264829 0.91 PLK1 (0.85) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4406023 0.88 PLK1 (0.85) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4562031 0.88 PLK1 (0.85) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4412008 0.88 PLK1 (0.85) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4403532 0.88 PLK1 (0.85) PLK1CYP3A4CYP2C9PLK3

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-20080214563-A1 Benzimidazole Thiophene Compounds As Plk Modulators SMITHKLINE BEECHAM CORPORATION 2008-09-04 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-20080214563-A1 Benzimidazole Thiophene Compounds As Plk Modulators PLK2, PLK3, PLK4 PLK1 27/4885CYP3A4 146/4885CYP2C9 472/4885

“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.