SCHEMBL6045827

SCHEMBL6045827

O=C(Nc1[nH]nc(C(=O)N[C@H]2CCCCNC2=O)c1Br)c1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.71
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.51
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
RAB9A P51151 2/20 0.43
CHEK1 O14757 1/20 0.42
NPC1 O15118 1/20 0.41
FPR2 P25090 1/20 0.40
CCR2 P41597 2/20 0.40

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
SCHEMBL6045899 1.00 BDKRB1 (0.71) BDKRB1ALDH1A1KDM4ECCNA2CDK2
SCHEMBL4705006 0.88 BDKRB1 (0.65) BDKRB1ALDH1A1KDM4ECCNA2CDK2
SCHEMBL4705242 0.88 BDKRB1 (0.65) BDKRB1ALDH1A1KDM4ECCNA2CDK2
SCHEMBL14084964 0.87 BDKRB1 (0.54) BDKRB1ALDH1A1CCNA2CDK2CCNA1
SCHEMBL4703545 0.83 RAB9A (0.50) BDKRB1ALDH1A1KDM4ECCNA2CDK2
SCHEMBL6046046 0.83 BDKRB1 (1.00) BDKRB1ALDH1A1KDM4E
SCHEMBL14084872 0.83 BDKRB1 (0.50) BDKRB1ALDH1A1CCNA2CDK2CCNA1
SCHEMBL14084871 0.83 BDKRB1 (0.50) BDKRB1ALDH1A1CCNA2CDK2CCNA1
SCHEMBL4700629 0.82 BDKRB1 (0.49) BDKRB1CCNA2CDK2CCNA1RAB9A
SCHEMBL14084948 0.82 BDKRB1 (0.49) BDKRB1CCNA2CDK2CCNA1RAB9A

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 1/4885ALDH1A1 2017/4885KDM4E 2152/4885

“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.