SCHEMBL6045838

SCHEMBL6045838

O=C(Nc1[nH]nc(C(=O)NCC2CCN(c3ccncc3)CC2)c1Br)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.50
F10 P00742 6/20 0.45
ACHE P22303 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL6046043 0.92 BDKRB1 (0.60) BDKRB1
SCHEMBL14084950 0.90 BDKRB1 (0.62) BDKRB1F10
SCHEMBL5819580 0.85 BCL3 (0.50) BDKRB1
SCHEMBL14085012 0.83 MAPT (0.47) BDKRB1GSK3B
SCHEMBL6045889 0.82 BDKRB1 (0.74) BDKRB1
SCHEMBL6046013 0.82 BDKRB1 (0.60) BDKRB1
SCHEMBL14084940 0.79 BDKRB1 (0.49) BDKRB1ACHEGSK3B
SCHEMBL6045832 0.79 BDKRB1 (0.49) BDKRB1GSK3B
SCHEMBL4705398 0.79 BDKRB1 (0.59) BDKRB1F10
SCHEMBL6046065 0.77 GSK3B (0.53) BDKRB1GSK3B

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 1/4885F10 2137/4885ACHE 3424/4885

“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.