SCHEMBL6046028

SCHEMBL6046028

O=C(Nc1[nH]nc(C(=O)NCCN2CCCCC2)c1Br)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.48
WNT1 P04628 3/20 0.44
DYRK1A Q13627 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.44
CHRNA7 P36544 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL6045828 0.99 BDKRB1 (0.49) BDKRB1WNT1DYRK1ASMN1; SMN2HTT
SCHEMBL6046172 0.92 BDKRB1 (0.54) BDKRB1HTTHTR1ADRD2HTR2A
SCHEMBL6045893 0.92 BDKRB1 (0.52) BDKRB1HTT
SCHEMBL14108180 0.92 DRD2 (0.52) BDKRB1CHRNA7KCNH2HTR1ADRD2
SCHEMBL6046007 0.91 BDKRB1 (0.47) BDKRB1
SCHEMBL6046003 0.91 HTT (0.56) BDKRB1SMN1; SMN2HTT
SCHEMBL6045916 0.89 BDKRB1 (0.51) BDKRB1SMN1; SMN2HTT
SCHEMBL6045882 0.87 BDKRB1 (0.57) BDKRB1DRD2
SCHEMBL4703878 0.87 BDKRB1 (0.44) BDKRB1SMN1; SMN2HTTHPGDCHRNA7
SCHEMBL4705843 0.86 BDKRB1 (0.44) BDKRB1SMN1; SMN2HTTHPGDCHRNA7

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 1/4885WNT1 3068/4885DYRK1A 3255/4885

“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.