SCHEMBL4034072

SCHEMBL4034072

O=C(Nc1[nH]nc(C(=O)Nc2ccccc2)c1Br)c1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.64
SMO Q99835 7/20 0.52
JAK2 O60674 2/20 0.52
TYK2 P29597 1/20 0.52
MAPT P10636 2/20 0.49
CYP11B2 P19099 1/20 0.49
GRM4 Q14833 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
JAK1 P23458 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL14507353 0.93 BDKRB1 (0.56) BDKRB1SMOJAK2TYK2MAPT
SCHEMBL4033107 0.92 BDKRB1 (0.66) BDKRB1SMOJAK2TYK2CYP11B2
SCHEMBL4035313 0.91 BDKRB1 (0.54) BDKRB1SMOJAK2TYK2MAPT
SCHEMBL4035820 0.89 CYP11B2 (0.68) BDKRB1JAK2TYK2CYP11B2MEN1
SCHEMBL3789664 0.89 BDKRB1 (0.55) BDKRB1SMOJAK2TYK2MAPT
SCHEMBL14507354 0.89 JAK2 (0.52) BDKRB1SMOJAK2TYK2MAPT
SCHEMBL14507355 0.88 ALDH1A1 (0.54) BDKRB1MAPTMEN1NPC1RAB9A
SCHEMBL14507343 0.88 BDKRB1 (0.51) BDKRB1SMOJAK2TYK2MAPT
SCHEMBL14507357 0.88 CYP1A2 (0.61) BDKRB1MAPTRAB9ACCNA2CDK2
SCHEMBL4035281 0.88 BDKRB1 (0.62) BDKRB1SMOJAK2TYK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP claimed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US claimed
EP-1635821-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP claimed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US claimed
WO-2004099155-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL) AMIDE DERIVATES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 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-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US disclosed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US disclosed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
EP-1635821-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US disclosed
WO-2004099155-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL) AMIDE DERIVATES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO 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 (3 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-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, LTB4R BDKRB1 1/4885SMO 4519/4885JAK2 1229/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885SMO 4596/4885JAK2 2526/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL BDKRB1 3131/4885SMO 4425/4885JAK2 1833/4885

“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.