SCHEMBL2239622

SCHEMBL2239622

COc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N(C)Cc3ccc(C4=NCCN4)cc3)co2)c2ccccc2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.56
PDK1 Q15118 1/20 0.36
WDR5 P61964 1/20 0.36

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
SCHEMBL2242645 0.90 BDKRB1 (0.65) BDKRB1WDR5
SCHEMBL12346724 0.88 BDKRB1 (0.58) BDKRB1WDR5
SCHEMBL12346698 0.86 BDKRB1 (0.57) BDKRB1WDR5
SCHEMBL2239848 0.86 BDKRB1 (0.59) BDKRB1WDR5
Trifluoroacetic Acid SCHEMBL2238953 0.85 BDKRB1 (0.53) BDKRB1WDR5
SCHEMBL2237971 0.84 BDKRB1 (0.61) BDKRB1
Trifluoroacetic Acid SCHEMBL2239273 0.84 BDKRB1 (0.52) BDKRB1WDR5
SCHEMBL13495524 0.83 BDKRB1 (0.39) BDKRB1WDR5
SCHEMBL2240352 0.81 BDKRB1 (0.54) BDKRB1WDR5
SCHEMBL2237144 0.81 BDKRB1 (0.54) BDKRB1WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US claimed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US claimed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885PDK1 1816/4885WDR5 3093/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885PDK1 1908/4885WDR5 3111/4885

“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.