SCHEMBL6046065

SCHEMBL6046065

O=C(Nc1[nH]nc(C(=O)NCC2CCN(CCc3ccncc3)CC2)c1Br)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.53
BDKRB1 P46663 11/20 0.49
CDK2 P24941 1/20 0.43
CDK16 Q00536 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL14084940 0.93 BDKRB1 (0.49) GSK3BBDKRB1
SCHEMBL6046168 0.92 BDKRB1 (0.57) BDKRB1
SCHEMBL4701564 0.89 GSK3B (0.47) GSK3BBDKRB1
SCHEMBL6045909 0.89 BDKRB1 (0.50) BDKRB1
SCHEMBL14084950 0.87 BDKRB1 (0.62) BDKRB1
SCHEMBL6045832 0.86 BDKRB1 (0.49) GSK3BBDKRB1
SCHEMBL14084926 0.86 BDKRB1 (0.59) GSK3BBDKRB1DYRK1A
SCHEMBL6046001 0.85 BDKRB1 (0.60) BDKRB1
SCHEMBL4789665 0.83 BDKRB1 (0.53) BDKRB1
SCHEMBL6046052 0.82 BDKRB1 (0.49) BDKRB1

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 GSK3B 4511/4885BDKRB1 1/4885CDK2 350/4885

“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.