SCHEMBL5062124

SCHEMBL5062124

COC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1cccc(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.80
NEK2 P51955 1/20 0.55
IKBKE Q14164 1/20 0.53

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
SCHEMBL5065742 0.91 PLK1 (0.79) PLK1NEK2IKBKE
SCHEMBL5062900 0.90 PLK1 (0.83) PLK1NEK2IKBKE
SCHEMBL5063308 0.90 PLK1 (0.81) PLK1NEK2IKBKE
SCHEMBL5062579 0.89 PLK1 (1.00) PLK1NEK2
SCHEMBL5062768 0.86 PLK1 (0.80) PLK1NEK2IKBKE
SCHEMBL5058164 0.82 PLK1 (0.57) PLK1NEK2
SCHEMBL5066012 0.82 PLK1 (0.80) PLK1NEK2
SCHEMBL3251745 0.80 PLK1 (0.65) PLK1IKBKE
Gw804482X SCHEMBL5058212 0.80 PLK1 (1.00) PLK1NEK2
SCHEMBL3258923 0.80 PLK1 (0.64) PLK1NEK2

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-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ANDREWS CLARENCE W 2008-10-30 US disclosed
US-20060074119-A1 Thiophene compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US disclosed
EP-1546137-A1 BENZIMIDAZOL-1-YL-THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER SmithKline Beecham Corporation (US) 2005-06-29 EP disclosed
WO-2004014899-A1 THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-19 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 (2 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-20060074119-A1 Thiophene compounds TPMT, ABCB1, CYP3A5 PLK1 2123/4885NEK2 4031/4885IKBKE 3524/4885
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ABCB1, TP53, CCNI PLK1 130/4885NEK2 636/4885IKBKE 609/4885

“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.