SCHEMBL6045845

SCHEMBL6045845

O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc(NC(=O)c2ccccc2Cl)n(-c2ccccc2)n1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.70
BDKRB1 P46663 1/20 0.60
CCKAR P32238 9/20 0.55
GRM5 P41594 1/20 0.52
CBLB Q13191 3/20 0.49

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
SCHEMBL6045926 0.90 CCKBR (0.72) CCKBRBDKRB1CCKAR
SCHEMBL4703582 0.88 CCKBR (0.63) CCKBRBDKRB1CCKARGRM5CBLB
SCHEMBL9524959 0.83 CCKBR (1.00) CCKBRBDKRB1CCKARCBLB
SCHEMBL643128 0.83 CCKBR (1.00) CCKBRBDKRB1CCKARCBLB
SCHEMBL14085027 0.83 CCKBR (0.68) CCKBRBDKRB1CCKARCBLB
SCHEMBL6046026 0.82 CCKBR (0.76) CCKBRBDKRB1CCKAR
SCHEMBL6045956 0.81 BDKRB1 (0.61) CCKBRBDKRB1CCKARCBLB
SCHEMBL6045943 0.80 CCKBR (0.71) CCKBRBDKRB1CCKAR
SCHEMBL4704074 0.79 CCKBR (0.65) CCKBRBDKRB1CCKARCBLB
SCHEMBL4705718 0.79 CCKBR (0.61) CCKBRBDKRB1CCKARCBLB

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 CCKBR 36/4885BDKRB1 1/4885CCKAR 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.