SCHEMBL4032956

SCHEMBL4032956

[NH]c1ccc(CNC2=NCCN2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.62
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
CXCR4 P61073 3/20 0.49
MLLT1 Q03111 1/20 0.47
APOBEC3A P31941 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
WDR5 P61964 8/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NLRP3 Q96P20 1/20 0.42

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
SCHEMBL10054979 0.93 PTGIR (0.69) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL17186490 0.85 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL4035161 0.85 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL10800812 0.85 PTGIR (0.83) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL3169468 0.84 PTGIR (0.60) PTGIRADRA2AADRA2BADRA2CCXCR4
Hydrochloric Acid SCHEMBL18605409 0.83 PTGIR (0.59) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL14599597 0.81 PTGIR (0.57) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL28904914 0.81 PTGIR (0.64) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL7430405 0.79 MLLT1 (0.56) PTGIRADRA2AADRA2BADRA2CMLLT1
SCHEMBL8152769 0.78 WDR5 (0.69) PTGIRWDR5

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 6 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
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US 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-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-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 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-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 PTGIR 39/4885ADRA2A 179/4885ADRA2B 47/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 PTGIR 57/4885ADRA2A 288/4885ADRA2B 44/4885

“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.