SCHEMBL6045841

SCHEMBL6045841

CN1C=CN=CC(NC(=O)c2cc(NC(=O)c3ccccc3Cl)[nH]n2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
KDM5A P29375 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
F2 P00734 2/20 0.37
MAPT P10636 1/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
F2R P25116 1/20 0.36
BDKRB1 P46663 3/20 0.36

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
SCHEMBL4705690 0.86 HPGD (0.38) HPGDSMN1; SMN2CYP2C19ALDH1A1CYP2D6
SCHEMBL6046033 0.81 BDKRB1 (0.40) HPGDSMN1; SMN2CYP2C19ALDH1A1CYP2D6
SCHEMBL4788997 0.77 BDKRB1 (0.37) HPGDSMN1; SMN2CYP2C19ALDH1A1CYP2D6
SCHEMBL14085025 0.73 CCNA2 (0.42) HPGDSMN1; SMN2CYP2C19ALDH1A1CYP2D6
SCHEMBL3798963 0.71 BDKRB1 (0.51) HPGDSMN1; SMN2CYP2C19ALDH1A1CCNA2
SCHEMBL4033964 0.71 SMN1; SMN2 (0.60) HPGDSMN1; SMN2CYP2C19ALDH1A1CYP2D6
SCHEMBL14108088 0.70 JAK2 (0.52) HPGDSMN1; SMN2CYP2C19CCNA2CDK2
SCHEMBL14084847 0.70 BDKRB1 (0.62) HPGDSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL14084910 0.68 RIPK1 (0.57)
SCHEMBL6046071 0.67 BDKRB1 (0.68) CCNA2CDK2CCNA1KDM5ABDKRB1

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 HPGD 797/4885SMN1; SMN2 3662/4885CYP2C19 418/4885

“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.