SCHEMBL6513485

SCHEMBL6513485

NC(=O)[C@@H](NC(=O)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.69
SMO Q99835 1/20 0.41
CSNK2A2 P19784 1/20 0.40
KDR P35968 1/20 0.40
PLK1 P53350 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TACR3 P29371 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14448705 0.92 BDKRB1 (0.57) BDKRB1SMOCCNA2CDK2CCNA1
SCHEMBL5823069 0.92 BDKRB1 (0.57) BDKRB1SMOCCNA2CDK2CCNA1
SCHEMBL4703867 0.88 BDKRB1 (0.54) BDKRB1SMOJAK2CCNA2CDK2
SCHEMBL6512274 0.88 BDKRB1 (0.55) BDKRB1SMOTACR3F2MAPT
SCHEMBL6510482 0.88 BDKRB1 (0.70) BDKRB1SMOTACR3F2MAPT
SCHEMBL14448704 0.88 BDKRB1 (0.70) BDKRB1SMOTACR3F2MAPT
SCHEMBL5794807 0.88 BDKRB1 (0.70) BDKRB1SMOTACR3F2MAPT
SCHEMBL6510462 0.85 BDKRB1 (0.50) BDKRB1CSNK2A2KDRPLK1CSNK2B
SCHEMBL14084789 0.85 BDKRB1 (0.68) BDKRB1SMOHPGDKMT2ASMN1; SMN2
SCHEMBL14084803 0.85 BDKRB1 (0.68) BDKRB1SMOHPGDKMT2ASMN1; SMN2

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-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-17 US claimed
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
US-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-17 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-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885SMO 4562/4885CSNK2A2 3373/4885
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, HRH2 BDKRB1 1/4885SMO 4407/4885CSNK2A2 965/4885

“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.