SCHEMBL4035220

SCHEMBL4035220

COc1cc2ncn(-c3cc(OCC4CCCCC4)c(C(N)=O)s3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 1.00
IKBKE Q14164 1/20 0.61
PLK3 Q9H4B4 1/20 0.61

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
SCHEMBL4040592 0.85 PLK1 (1.00) PLK1IKBKEPLK3
SCHEMBL4032176 0.82 IKBKE (0.90) PLK1IKBKE
SCHEMBL5062636 0.81 PLK1 (0.69) PLK1PLK3
SCHEMBL5058239 0.79 PLK1 (1.00) PLK1PLK3
SCHEMBL4040799 0.78 PLK1 (0.87) PLK1PLK3
SCHEMBL5058230 0.78 PLK1 (0.87) PLK1IKBKEPLK3
SCHEMBL4034591 0.78 PLK1 (0.67) PLK1IKBKEPLK3
Gsk-204925A SCHEMBL4367870 0.77 PLK1 (1.00) PLK1PLK3
SCHEMBL4553248 0.77 PLK1 (0.69) PLK1IKBKEPLK3
SCHEMBL3254480 0.77 PLK1 (0.67) PLK1IKBKEPLK3

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 12 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

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 193/4885IKBKE 2264/4885PLK3 1161/4885
US-20060074119-A1 Thiophene compounds TPMT, ABCB1, CYP3A5 PLK1 2123/4885IKBKE 3524/4885PLK3 3731/4885
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ABCB1, TP53, CCNI PLK1 130/4885IKBKE 609/4885PLK3 1224/4885
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 IKBKE, IKBKB, TBK1 PLK1 1088/4885IKBKE 1/4885PLK3 413/4885

“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.