SCHEMBL6045873

SCHEMBL6045873

CN(C)CCN(C)C(=O)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.45
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
F2 P00734 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 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
SCHEMBL14084751 0.87 BDKRB1 (0.49) BDKRB1MAPTHPGDCCNA2CDK2
SCHEMBL6046083 0.85 CYP1A2 (0.48) BDKRB1MAPTHPGDF2KMT2A
SCHEMBL14084810 0.84 SIGMAR1 (0.48) BDKRB1HPGDKDM4EALDH1A1CYP1A2
SCHEMBL4032930 0.83 POLB (0.52) BDKRB1MAPTHPGDCCNA2CDK2
SCHEMBL4706222 0.80 BDKRB1 (0.50) BDKRB1MAPTHPGDCCNA2CDK2
SCHEMBL3789664 0.80 BDKRB1 (0.55) BDKRB1MAPTHPGDCCNA2CDK2
SCHEMBL6045922 0.80 BDKRB1 (0.48) BDKRB1MAPTHPGDF2KMT2A
SCHEMBL6045839 0.80 BDKRB1 (0.48) BDKRB1MAPTHPGDF2KMT2A
SCHEMBL6045870 0.80 BDKRB1 (0.48) BDKRB1MAPTHPGDF2KMT2A
SCHEMBL3793247 0.80 BDKRB1 (0.52) BDKRB1MAPTHPGDCCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885MAPT 3561/4885HPGD 797/4885

“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.