SCHEMBL4032882

SCHEMBL4032882

COc1cc2ncn(-c3cc(OCc4c(F)cccc4F)c(C#N)s3)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 14/20 0.69
PLK1 P53350 9/20 0.69
TBK1 Q9UHD2 1/20 0.65

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
SCHEMBL4032648 0.86 IKBKE (0.70) IKBKEPLK1TBK1
SCHEMBL4032804 0.84 IKBKE (0.80) IKBKEPLK1TBK1
SCHEMBL4036540 0.83 PLK1 (0.68) IKBKEPLK1TBK1
SCHEMBL4032568 0.82 IKBKE (0.78) IKBKEPLK1TBK1
SCHEMBL4038453 0.81 IKBKE (1.00) IKBKEPLK1TBK1
SCHEMBL4036962 0.81 PLK1 (0.75) PLK1
SCHEMBL4033041 0.81 IKBKE (0.79) IKBKEPLK1TBK1
SCHEMBL4035301 0.81 IKBKE (0.70) IKBKEPLK1TBK1
SCHEMBL4032682 0.80 IKBKE (0.67) IKBKEPLK1TBK1
SCHEMBL4033774 0.80 PLK1 (0.68) IKBKEPLK1TBK1

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
EP-1720864-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LTD (GB) 2009-05-06 EP claimed
EP-2259787-B1 IKKI INHIBITOR THERAPIES AND SCREENING METHODS, AND RELATED IKKI DIAGNOSTICS UNIV MICHIGAN (US) 2015-12-23 EP disclosed
US-20090304714-A1 IKKi Inhibitor Therapies and Screening Methods, and Related IKKi Diagnostics THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-12-10 US disclosed
EP-1720864-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LTD (GB) 2009-05-06 EP disclosed
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 US disclosed
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 US disclosed
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 US 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 (2 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-20090304714-A1 IKKi Inhibitor Therapies and Screening Methods, and Related IKKi Diagnostics NFKBIA, IKBKE, IRAK4 IKBKE 2/4885PLK1 496/4885TBK1 9/4885
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 IKBKE, IKBKB, TBK1 IKBKE 1/4885PLK1 1088/4885TBK1 3/4885

“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.