SCHEMBL5394693

SCHEMBL5394693

Cc1ccccc1Oc1cc(-n2cnc3ccccc32)sc1C#N

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 12/20 0.65
PLK1 P53350 10/20 0.48
NEK2 P51955 1/20 0.47
TBK1 Q9UHD2 1/20 0.46

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
SCHEMBL4034132 0.84 IKBKE (0.74) IKBKEPLK1NEK2TBK1
SCHEMBL4035635 0.79 IKBKE (1.00) IKBKEPLK1TBK1
SCHEMBL4032804 0.70 IKBKE (0.80) IKBKEPLK1TBK1
SCHEMBL14490048 0.69 PLK1 (0.55) IKBKEPLK1NEK2
SCHEMBL4032134 0.68 IKBKE (0.79) IKBKEPLK1TBK1
SCHEMBL4032682 0.68 IKBKE (0.67) IKBKEPLK1TBK1
SCHEMBL5058189 0.67 PLK1 (0.70) IKBKEPLK1NEK2
SCHEMBL4033774 0.67 PLK1 (0.68) IKBKEPLK1TBK1
SCHEMBL5066012 0.67 PLK1 (0.80) PLK1NEK2
SCHEMBL5063355 0.67 PLK1 (0.85) PLK1NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007522142-A 2007-08-09 JP claimed
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 US claimed
EP-1720864-A1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2006-11-15 EP claimed
WO-2005075465-A1 BENZIMIDAZOL SUBSTITUTED THIOPENE DERIVATIVES WITH ATCTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2005-08-18 WO claimed
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 US disclosed
EP-1720864-A1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2006-11-15 EP 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 (1 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-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 IKBKE, IKBKB, TBK1 IKBKE 1/4885PLK1 1088/4885NEK2 773/4885

“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.