SCHEMBL4041358

SCHEMBL4041358

COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(C(N)=O)s3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 1.00
PLK3 Q9H4B4 2/20 0.77
PLK4 O00444 1/20 0.73
AURKA O14965 1/20 0.73
JAK2 O60674 1/20 0.73
RPS6KA5 O75582 1/20 0.73
MAP4K4 O95819 1/20 0.73
EGFR P00533 1/20 0.73
ERBB2 P04626 1/20 0.73
NTRK1 P04629 1/20 0.73
LCK P06239 1/20 0.73
CSF1R P07333 1/20 0.73
PDGFRB P09619 1/20 0.73
ALOX5 P09917 1/20 0.73
KIT P10721 1/20 0.73
FGFR1 P11362 1/20 0.73
SRC P12931 1/20 0.73
FLT1 P17948 1/20 0.73
CDK2 P24941 1/20 0.73
AXL P30530 1/20 0.73

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
SCHEMBL13575282 0.88 PLK1 (0.78) PLK1PLK3PLK4AURKAJAK2
SCHEMBL14050260 0.88 PLK1 (0.86) PLK1PLK3PLK4AURKAJAK2
SCHEMBL6041875 0.87 PLK1 (0.82) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5062225 0.87 PLK1 (1.00) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5058210 0.86 PLK1 (1.00) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5058166 0.85 PLK1 (0.82) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5058276 0.85 PLK1 (0.82) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5063343 0.84 PLK1 (1.00) PLK1PLK3PLK4AURKAJAK2
Gw843682X SCHEMBL31416068 0.84 PLK1 (1.00) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5067428 0.84 PLK1 (0.80) PLK1PLK3PLK4AURKAJAK2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720864-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LTD (GB) 2009-05-06 EP disclosed
US-7465807-B2 Process for preparing benzimidazole thiophenes SMITHKLINE BEECHAM CORPORATION (US) 2008-12-16 US disclosed
US-7465807-B2 Process for preparing benzimidazole thiophenes SMITHKLINE BEECHAM CORPORATION (US) 2008-12-16 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
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 US 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
EP-1720864-A1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2006-11-15 EP disclosed
US-20060074119-A1 Thiophene compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US disclosed
WO-2005075465-A1 BENZIMIDAZOL SUBSTITUTED THIOPENE DERIVATIVES WITH ATCTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2005-08-18 WO 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 (4 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-20070060576-A1 Process for preparing benzimidazole thiophenes CYP3A4, TPMT, TYMP PLK1 193/4885PLK3 1161/4885PLK4 367/4885
US-20060074119-A1 Thiophene compounds TPMT, ABCB1, CYP3A5 PLK1 2123/4885PLK3 3731/4885PLK4 2971/4885
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ABCB1, TP53, CCNI PLK1 130/4885PLK3 1224/4885PLK4 1019/4885
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 IKBKE, IKBKB, TBK1 PLK1 1088/4885PLK3 413/4885PLK4 930/4885

“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.