SCHEMBL4700870

SCHEMBL4700870

CC(C)(C)OC(=O)NCCCCNc1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
CYP3A4 P08684 1/20 0.51
STK17B O94768 1/20 0.49
STK17A Q9UEE5 1/20 0.49
LATS1 O95835 1/20 0.48
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
CYP17A1 P05093 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46
BRD4 O60885 4/20 0.46

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
SCHEMBL8271413 0.84 TDP1 (0.54) TDP1STK17BSTK17ACA1CA2
SCHEMBL21224591 0.84 TDP1 (0.58) TDP1CYP3A4CA1CA2CA12
SCHEMBL11778118 0.83 TDP1 (0.54) TDP1CYP3A4STK17BSTK17ACA1
SCHEMBL25122811 0.83 CYP3A4 (0.54) TDP1CYP3A4LATS1CA1CA2
SCHEMBL8271414 0.83 TDP1 (0.56) TDP1CYP3A4STK17BSTK17ACA1
SCHEMBL8271418 0.83 TDP1 (0.56) TDP1CYP3A4STK17BSTK17ACA1
SCHEMBL31203373 0.83 CA1 (0.61) TDP1CYP3A4CA1CA2CYP17A1
SCHEMBL10126784 0.82 MEN1 (0.53) TDP1STK17BSTK17ACA1CA2
SCHEMBL21996950 0.82 CA12 (0.65) TDP1CYP3A4STK17BSTK17ACA1
SCHEMBL25122892 0.82 CYP3A4 (0.56) TDP1CYP3A4CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
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
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY 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 (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 TDP1 3996/4885CYP3A4 693/4885STK17B 1197/4885

“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.