SCHEMBL5065832

SCHEMBL5065832

COC(=O)c1sc(-n2cnc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc32)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.46
PLK3 Q9H4B4 3/20 0.44
NEK2 P51955 5/20 0.44
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
MAPK10 P53779 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
CHEK2 O96017 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL5062107 0.93 PLK1 (0.46) PLK1PLK3NEK2MAPK1PLK4
SCHEMBL5058295 0.86 PLK1 (0.55) PLK1PLK3NEK2MAPK1PLK4
SCHEMBL5058123 0.86 PLK1 (0.55) PLK1PLK3NEK2MAPK1PLK4
SCHEMBL6239483 0.84 PLK1 (0.46) PLK1PLK3NEK2MAPK1PLK4
SCHEMBL5062429 0.84 PLK1 (0.68) PLK1PLK3NEK2MAPK1PLK4
SCHEMBL5062222 0.84 PLK1 (0.53) PLK1PLK3NEK2MAPK1ALDH1A1
SCHEMBL3256834 0.79 PLK1 (0.66) PLK1PLK3NEK2CSF1RPIM1
SCHEMBL5062342 0.77 PLK1 (0.49) PLK1PLK3NEK2
SCHEMBL5067437 0.77 PLK1 (0.68) PLK1PLK3NEK2MAPK1PLK4
SCHEMBL5058140 0.77 PLK1 (0.48) PLK1PLK3NEK2

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 5 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-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 2123/4885PLK3 3731/4885NEK2 4031/4885
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ABCB1, TP53, CCNI PLK1 130/4885PLK3 1224/4885NEK2 636/4885

“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.