SCHEMBL6046083

SCHEMBL6046083

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
BDKRB1 P46663 10/20 0.46
SIGMAR1 Q99720 1/20 0.43
HPGD P15428 2/20 0.42
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAD52 P43351 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
WNT1 P04628 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPK1 P28482 1/20 0.40
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL14084810 0.94 SIGMAR1 (0.48) CYP1A2BDKRB1SIGMAR1HPGDWNT1
SCHEMBL6046144 0.90 BDKRB1 (0.44) BDKRB1SIGMAR1HPGDCYP2C9TDP1
SCHEMBL14084924 0.88 BDKRB1 (0.50) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL6045950 0.87 BDKRB1 (0.48) BDKRB1HPGDCYP2C9TDP1KMT2A
SCHEMBL6045862 0.87 BDKRB1 (0.49) CYP1A2BDKRB1HPGDCYP2C9TDP1
SCHEMBL4706682 0.86 CYP1A2 (0.43) CYP1A2BDKRB1SIGMAR1HPGDCYP2C9
SCHEMBL6045873 0.85 BDKRB1 (0.45) CYP1A2BDKRB1HPGDKMT2AF2
SCHEMBL14084823 0.84 BDKRB1 (0.46) BDKRB1HPGDCYP2C9TDP1KMT2A
SCHEMBL6045815 0.84 BDKRB1 (0.47) BDKRB1HPGDCYP2C9TDP1KMT2A
SCHEMBL4704975 0.84 RAB9A (0.60) BDKRB1HPGDCYP2C9TDP1KMT2A

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 CYP1A2 675/4885BDKRB1 1/4885SIGMAR1 2314/4885

“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.