SCHEMBL4032937

SCHEMBL4032937

Nc1ccc(CCC2=NCCN2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.69
MAOB P27338 2/20 0.69
NISCH Q9Y2I1 1/20 0.69
RAD52 P43351 1/20 0.60
HTR1D P28221 5/20 0.54
TAAR1 Q96RJ0 3/20 0.50
GFER P55789 1/20 0.50
HTR1B P28222 2/20 0.49
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
CYP2D6 P10635 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 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
Hydrochloric Acid SCHEMBL4711895 1.00 MAOA (0.69) MAOAMAOBNISCHRAD52HTR1D
Hydrochloric Acid SCHEMBL4711894 0.98 MAOA (0.67) MAOAMAOBNISCHRAD52HTR1D
SCHEMBL4041332 0.90 MAOB (0.56) MAOAMAOBNISCHRAD52HTR1D
SCHEMBL12495025 0.90 RAD52 (0.57) MAOAMAOBNISCHRAD52HTR1D
SCHEMBL953972 0.84 RAD52 (0.82) MAOAMAOBNISCHRAD52HTR1D
SCHEMBL3178397 0.82 MAOA (0.69) MAOAMAOBNISCHHTR1DTAAR1
Phenyzoline SCHEMBL3172677 0.81 NISCH (1.00) MAOAMAOBNISCHHTR1DTAAR1
SCHEMBL5826973 0.80 MAOA (0.66) MAOAMAOBNISCHTAAR1HTR1B
SCHEMBL4032931 0.79 MAOA (0.59) MAOAMAOBNISCHRAD52HTR1D
SCHEMBL4033870 0.79 NISCH (0.69) MAOAMAOBNISCHHTR1DTAAR1

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 13 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-20080262021-A1 [4-(8-Benzo[1,3]dioxol-5-yl-imidazo[4,5-c]quinolin-1-yl)-phenyl]-acetonitrile; treatment of chronic myeloic leukemia NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1687305-B1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2008-07-09 EP 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
CN-1902200-A 1h-imidazoquinoline derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2007-01-24 CN 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-20080262021-A1 [4-(8-Benzo[1,3]dioxol-5-yl-imidazo[4,5-c]quinolin-1-yl)-phenyl]-acetonitrile; treatment of chronic myeloic leukemia ABL1, MAP4K2, MAP3K1 MAOA 3059/4885MAOB 3282/4885NISCH 2387/4885
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 MAOA 1542/4885MAOB 615/4885NISCH 371/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 MAOA 1581/4885MAOB 440/4885NISCH 153/4885

“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.