SCHEMBL4037261

SCHEMBL4037261

NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 1.00
NEK2 P51955 3/20 0.72
MAP4K4 O95819 1/20 0.71
CSF1R P07333 1/20 0.71
PIM1 P11309 1/20 0.71
KDR P35968 1/20 0.71
LIMK1 P53667 1/20 0.71
STK3 Q13188 1/20 0.71
CAMK2B Q13554 1/20 0.71
CAMK2G Q13555 1/20 0.71
CAMK2D Q13557 1/20 0.71
DYRK1A Q13627 1/20 0.71
CAMK1 Q14012 1/20 0.71
PKN2 Q16513 1/20 0.71
HIPK4 Q8NE63 1/20 0.71
BRSK1 Q8TDC3 1/20 0.71
AURKB Q96GD4 1/20 0.71
SLK Q9H2G2 1/20 0.71
PLK3 Q9H4B4 1/20 0.71
CLK4 Q9HAZ1 1/20 0.71

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
SCHEMBL5062189 0.92 PLK1 (1.00) PLK1NEK2MAP4K4CSF1RPIM1
SCHEMBL5062311 0.92 PLK1 (1.00) PLK1NEK2MAP4K4CSF1RPIM1
SCHEMBL5063267 0.91 PLK1 (0.84) PLK1NEK2MAP4K4CSF1RPIM1
SCHEMBL5062371 0.90 PLK1 (1.00) PLK1NEK2MAP4K4CSF1RPIM1
SCHEMBL5062579 0.90 PLK1 (1.00) PLK1NEK2MAP4K4CSF1RPIM1
Gw804482X SCHEMBL5058212 0.89 PLK1 (1.00) PLK1NEK2MAP4K4CSF1RPIM1
SCHEMBL4032182 0.89 PLK1 (0.80) PLK1PLK3
SCHEMBL5063400 0.87 PLK1 (0.77) PLK1NEK2MAP4K4CSF1RPIM1
SCHEMBL4041917 0.85 PLK1 (1.00) PLK1NEK2MAP4K4CSF1RPIM1
SCHEMBL4551324 0.83 PLK1 (1.00) PLK1NEK2MAP4K4CSF1RPIM1

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 193/4885NEK2 2846/4885MAP4K4 659/4885
US-20060074119-A1 Thiophene compounds TPMT, ABCB1, CYP3A5 PLK1 2123/4885NEK2 4031/4885MAP4K4 3124/4885
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ABCB1, TP53, CCNI PLK1 130/4885NEK2 636/4885MAP4K4 1754/4885
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 IKBKE, IKBKB, TBK1 PLK1 1088/4885NEK2 773/4885MAP4K4 318/4885

“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.