SCHEMBL6045843

SCHEMBL6045843

CN1CC(NC(=O)c2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)C(=O)N(C)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 12/20 0.43
CCKBR P32239 4/20 0.42
CCKAR P32238 3/20 0.42
BDKRB1 P46663 3/20 0.42
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39

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
SCHEMBL14084920 1.00 RIPK1 (0.43) RIPK1CCKBRCCKARBDKRB1CCNA2
SCHEMBL6045877 0.90 SCN9A (0.44) RIPK1CCKBRCCKAR
SCHEMBL4701105 0.88 CCKBR (0.40) RIPK1CCKBRCCKARBDKRB1CCNA2
SCHEMBL14084953 0.88 BDKRB1 (0.42) RIPK1BDKRB1CCNA2CDK2CCNA1
SCHEMBL6045927 0.87 BDKRB1 (0.46) BDKRB1CCNA2CDK2CCNA1
SCHEMBL14084972 0.87 BDKRB1 (0.41) RIPK1BDKRB1CCNA2CDK2CCNA1
SCHEMBL14084952 0.86 BDKRB1 (0.42) RIPK1CCKBRBDKRB1CCNA2CDK2
SCHEMBL6045945 0.86 RIPK1 (0.41) RIPK1CCKBRCCKARBDKRB1
SCHEMBL14084905 0.86 RIPK1 (0.61) RIPK1
SCHEMBL6045929 0.85 BDKRB1 (0.47) BDKRB1CCNA2CDK2CCNA1

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
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-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 RIPK1 2259/4885CCKBR 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.