SCHEMBL4700629

SCHEMBL4700629

O=C(Nc1[nH]nc(C(=O)NC2CCCCNC2)c1Br)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.49
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
CCNA2 P20248 1/20 0.44
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CHEK1 O14757 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 1/20 0.39
CDK2AP1 O14519 1/20 0.38
NTRK1 P04629 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
SCHEMBL14084948 1.00 BDKRB1 (0.49) BDKRB1CDK2CCNA1CCNA2RAB9A
SCHEMBL4703545 0.90 RAB9A (0.50) BDKRB1CDK2CCNA1CCNA2RAB9A
SCHEMBL4703565 0.88 CDK2 (0.53) BDKRB1CDK2CCNA1CCNA2RAB9A
SCHEMBL4789701 0.87 BDKRB1 (0.46) BDKRB1CDK2CCNA1CCNA2RAB9A
SCHEMBL14085009 0.84 BDKRB1 (0.45) BDKRB1CDK2CCNA1CCNA2RAB9A
SCHEMBL14084821 0.83 CDK2 (0.45) BDKRB1CDK2CCNA1CCNA2RAB9A
SCHEMBL14084875 0.83 BDKRB1 (0.51) BDKRB1CDK2CCNA1CCNA2RAB9A
SCHEMBL14084828 0.82 CNR1 (0.48) BDKRB1CDK2CCNA1CCNA2
SCHEMBL6045827 0.82 BDKRB1 (0.71) BDKRB1CDK2CCNA1CCNA2RAB9A
SCHEMBL6045899 0.82 BDKRB1 (0.71) BDKRB1CDK2CCNA1CCNA2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP 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 claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 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
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 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 (2 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885CDK2 447/4885CCNA1 651/4885
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 1/4885CDK2 350/4885CCNA1 513/4885

“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.