SCHEMBL6046033

SCHEMBL6046033

CN1C=CN=CC(NC(=O)c2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.40
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
F2 P00734 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CCKAR P32238 1/20 0.34
CCKBR P32239 1/20 0.34

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
SCHEMBL4788997 0.88 BDKRB1 (0.37) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL6045841 0.81 HPGD (0.40) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4705690 0.77 HPGD (0.38) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL14084889 0.76 BDKRB1 (0.49) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL14084845 0.76 BDKRB1 (0.57) BDKRB1CCNA2CDK2CCNA1KMT2A
SCHEMBL6045929 0.75 BDKRB1 (0.47) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL14084871 0.75 BDKRB1 (0.50) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL14084872 0.75 BDKRB1 (0.50) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4706222 0.75 BDKRB1 (0.50) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL6045927 0.75 BDKRB1 (0.46) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1/4885HPGD 797/4885SMN1; SMN2 3662/4885

“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.