SCHEMBL6046080

SCHEMBL6046080

CC(C)C(=O)Nc1[nH]nc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)c1Br

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.73
CCKBR P32239 14/20 0.56
CCKAR P32238 10/20 0.56

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
SCHEMBL6045824 0.90 BDKRB1 (0.62) BDKRB1CCKBRCCKAR
SCHEMBL6045808 0.89 BDKRB1 (0.72) BDKRB1CCKBRCCKAR
SCHEMBL6045891 0.85 CCKBR (0.72) BDKRB1CCKBRCCKAR
SCHEMBL6046024 0.85 BDKRB1 (0.74) BDKRB1CCKBRCCKAR
SCHEMBL4702847 0.85 BDKRB1 (0.74) BDKRB1CCKBRCCKAR
SCHEMBL6045886 0.84 CCKBR (0.63) BDKRB1CCKBRCCKAR
SCHEMBL6045850 0.83 CCKBR (0.73) BDKRB1CCKBRCCKAR
SCHEMBL643277 0.81 CCKBR (0.68) BDKRB1CCKBRCCKAR
SCHEMBL6045910 0.78 CCKBR (0.67) BDKRB1CCKBRCCKAR
SCHEMBL6045902 0.76 CCKBR (0.72) BDKRB1CCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US claimed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 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-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 BDKRB1 1/4885CCKBR 36/4885CCKAR 123/4885

“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.