SCHEMBL4032134

SCHEMBL4032134

N#Cc1sc(-n2cnc3cc(Cl)ccc32)cc1OCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 11/20 0.79
PLK1 P53350 11/20 0.55
TBK1 Q9UHD2 1/20 0.51
FGFR1 P11362 1/20 0.47

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
SCHEMBL13849117 0.90 IKBKE (0.63) IKBKEPLK1TBK1FGFR1
SCHEMBL4035635 0.88 IKBKE (1.00) IKBKEPLK1TBK1
SCHEMBL4032182 0.80 PLK1 (0.80) PLK1
SCHEMBL5401515 0.75 IKBKE (0.60) IKBKEPLK1TBK1
SCHEMBL4034132 0.74 IKBKE (0.74) IKBKEPLK1TBK1
SCHEMBL4033774 0.74 PLK1 (0.68) IKBKEPLK1TBK1
SCHEMBL4032568 0.74 IKBKE (0.78) IKBKEPLK1TBK1
SCHEMBL4032804 0.73 IKBKE (0.80) IKBKEPLK1TBK1
SCHEMBL5418890 0.72 IKBKE (0.61) IKBKEPLK1TBK1
SCHEMBL4035301 0.71 IKBKE (0.70) 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.