SCHEMBL3259187

SCHEMBL3259187

COC(=O)c1sc(-n2cnc3cc(Br)ccc32)cc1O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.48
SIK1 P57059 2/20 0.48
SIK2 Q9H0K1 2/20 0.48
SIK3 Q9Y2K2 2/20 0.48
NEK2 P51955 1/20 0.48
FGFR1 P11362 1/20 0.45
IKBKE Q14164 1/20 0.44
GSK3B P49841 1/20 0.41

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
SCHEMBL2986672 0.91 PLK1 (0.48) PLK1NEK2IKBKE
SCHEMBL5058143 0.87 PLK1 (0.49) PLK1NEK2FGFR1IKBKEGSK3B
SCHEMBL5062343 0.87 FGFR1 (0.55) PLK1NEK2FGFR1IKBKEGSK3B
SCHEMBL13439954 0.87 PLK1 (0.46) PLK1SIK1SIK2SIK3NEK2
SCHEMBL3255967 0.86 PLK1 (0.55) PLK1NEK2FGFR1IKBKE
SCHEMBL5062293 0.86 PLK1 (0.48) PLK1NEK2FGFR1IKBKE
SCHEMBL3256834 0.85 PLK1 (0.66) PLK1NEK2FGFR1IKBKE
SCHEMBL3258683 0.84 PLK1 (0.50) PLK1NEK2FGFR1IKBKE
SCHEMBL3257001 0.84 FGFR1 (0.47) PLK1NEK2FGFR1IKBKE
SCHEMBL3255833 0.84 PLK1 (0.45) PLK1SIK1SIK2SIK3NEK2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032563-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON PLK GLAXOSMITHKLINE LLC (US) 2010-06-02 EP disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
US-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-12-31 US disclosed
US-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-12-31 US disclosed
US-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-12-31 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US disclosed
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-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ANDREWS CLARENCE W 2008-10-30 US disclosed
WO-2007143506-A2 SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-12-13 WO disclosed
US-20070060576-A1 Process for preparing benzimidazole thiophenes SMITHKLINE BEECHAM CORPORATION 2007-03-15 US disclosed
US-20070060576-A1 Process for preparing benzimidazole thiophenes SMITHKLINE BEECHAM CORPORATION 2007-03-15 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 (6 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-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS CYP3A4, CYP2C8, ABCB1 PLK1 391/4885SIK1 2562/4885SIK2 2575/4885
US-20070060576-A1 Process for preparing benzimidazole thiophenes CYP3A4, TPMT, TYMP PLK1 193/4885SIK1 1950/4885SIK2 2238/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885SIK1 2077/4885SIK2 1672/4885
US-20060074119-A1 Thiophene compounds TPMT, ABCB1, CYP3A5 PLK1 2123/4885SIK1 3686/4885SIK2 3539/4885
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ABCB1, TP53, CCNI PLK1 130/4885SIK1 608/4885SIK2 285/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885SIK1 1973/4885SIK2 1620/4885

“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.