SCHEMBL4705652

SCHEMBL4705652

CC(C)(C)OC(=O)NC1CCCCN(c2ccncc2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.52
BTK Q06187 5/20 0.50
JAK3 P52333 2/20 0.50
PDE10A Q9Y233 1/20 0.49
KDM4D Q6B0I6 5/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CTSK P43235 2/20 0.45
AURKA O14965 3/20 0.45
PDPK1 O15530 3/20 0.45
AURKB Q96GD4 3/20 0.45
KDM6A O15550 1/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL23497721 0.85 BTK (0.54) MAP4K4BTKJAK3PDE10ACA1
SCHEMBL12074150 0.84 CNR1 (0.55) MAP4K4BTKJAK3PDE10ACA1
SCHEMBL19657343 0.84 CNR1 (0.55) MAP4K4BTKJAK3PDE10ACA1
SCHEMBL29576568 0.84 GPR119 (0.55) MAP4K4BTKJAK3PDE10AKDM4D
SCHEMBL22775604 0.84 GPR119 (0.55) MAP4K4BTKJAK3PDE10AKDM4D
SCHEMBL29576692 0.84 GPR119 (0.55) MAP4K4BTKJAK3PDE10AKDM4D
SCHEMBL22774285 0.84 GPR119 (0.55) MAP4K4BTKJAK3PDE10AKDM4D
SCHEMBL1456142 0.84 CKS1B (0.54) PDE10AKDM4DCTSKKDM6A
SCHEMBL27902617 0.84 CNR1 (0.46) MAP4K4BTKJAK3PDE10A
SCHEMBL22499945 0.83 MAP4K4 (0.51) MAP4K4BTKJAK3PDE10ACA1

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 7 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-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US 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
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US 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 (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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 MAP4K4 81/4885BTK 2633/4885JAK3 2945/4885
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 MAP4K4 311/4885BTK 1779/4885JAK3 2229/4885

“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.