SCHEMBL6045871

SCHEMBL6045871

NC(=O)COC(=O)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.45
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
F2 P00734 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK2 O60674 2/20 0.41
JAK1 P23458 1/20 0.41
CSNK2A2 P19784 1/20 0.39
KDR P35968 1/20 0.39
PLK1 P53350 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TYK2 P29597 1/20 0.39
ACR P10323 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
SCHEMBL4703560 0.85 F2 (0.57) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL3820075 0.85 BDKRB1 (0.51) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL6045815 0.82 BDKRB1 (0.47) BDKRB1HPGDKMT2AMAPTJAK2
SCHEMBL3789664 0.81 BDKRB1 (0.55) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL4706222 0.79 BDKRB1 (0.50) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL4705306 0.79 GRM4 (0.46) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL4034072 0.78 BDKRB1 (0.64) BDKRB1KMT2AMAPTSMN1; SMN2JAK2
SCHEMBL14507357 0.78 CYP1A2 (0.61) BDKRB1HPGDMAPTKDRCCNA2
SCHEMBL6045862 0.78 BDKRB1 (0.49) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL6510462 0.77 BDKRB1 (0.50) BDKRB1HPGDKMT2AF2MAPT

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 BDKRB1 1/4885HPGD 797/4885KMT2A 2589/4885

“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.