SCHEMBL4034591

SCHEMBL4034591

CC[C@@H](C)Oc1cc(-n2cnc3cc(OC)c(OC)cc32)sc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 0.67
PLK3 Q9H4B4 3/20 0.67
CDK2 P24941 1/20 0.67
IKBKE Q14164 1/20 0.67

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
SCHEMBL5062636 0.83 PLK1 (0.69) PLK1PLK3
SCHEMBL5065731 0.81 PLK1 (0.82) PLK1PLK3CDK2IKBKE
SCHEMBL4032126 0.81 PLK1 (0.78) PLK1PLK3CDK2IKBKE
Gsk-237701A SCHEMBL29644977 0.81 PLK1 (1.00) PLK1PLK3CDK2IKBKE
Gsk-237701A SCHEMBL5065885 0.81 PLK1 (1.00) PLK1PLK3CDK2IKBKE
Gsk-237701A SCHEMBL4034890 0.81 PLK1 (1.00) PLK1PLK3CDK2IKBKE
SCHEMBL4032849 0.80 IKBKE (0.68) PLK1PLK3IKBKE
SCHEMBL5058239 0.79 PLK1 (1.00) PLK1PLK3
SCHEMBL14344449 0.79 PLK1 (0.81) PLK1PLK3CDK2IKBKE
SCHEMBL5062450 0.79 PLK1 (0.66) PLK1PLK3CDK2

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 2 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-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 (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 PLK1 1088/4885PLK3 413/4885CDK2 344/4885

“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.