SCHEMBL29406468

SCHEMBL29406468

CC(C)(C)OC(=O)NCCCCNc1ncc(C(N)=O)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.51
STK17A Q9UEE5 1/20 0.51
BRD4 O60885 13/20 0.50
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL28751899 1.00 STK17B (0.51) STK17BSTK17ABRD4CA12CA1
SCHEMBL27175710 0.90 STK17B (0.52) STK17BSTK17ABRD4CA12CA1
SCHEMBL28941703 0.89 STK17B (0.51) STK17BSTK17ABRD4CA12CA1
SCHEMBL22934332 0.87 STK17B (0.51) STK17BSTK17ABRD4CA12CA1
SCHEMBL28751942 0.86 STK17B (0.50) STK17BSTK17ABRD4CA12CA1
SCHEMBL28752003 0.86 STK17B (0.50) STK17BSTK17ABRD4CA12CA1
SCHEMBL22934340 0.79 BRD4 (0.44) STK17BSTK17ABRD4
SCHEMBL28751950 0.78 ESR1 (0.35)
SCHEMBL2085774 0.75 STK17B (0.56) STK17BSTK17ABRD4TDP1
SCHEMBL28752024 0.73 TTK (0.38) STK17BSTK17ABRD4

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-4007758-B1 BIS-[N-((5-CARBAMOYL)-1H-BENZO[D]IMIDAZOL-2-YL)-PYRAZOL-5-CARBOXAMIDE] DERIVATIVES AND RELATED COMPOUNDS AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS FOR THE TREATMENT OF CANCER MERSANA THERAPEUTICS INC (US) 2026-05-13 EP disclosed
US-20250011339-A1 STING AGONIST COMPOUNDS AND METHODS OF USE MERSANA THERAPEUTICS, INC. 2025-01-09 US disclosed
US-11939343-B2 Sting agonist compounds and methods of use MERSANA THERAPEUTICS, INC. (US) 2024-03-26 US disclosed
EP-4007758-A1 BIS-[N-((5-CARBAMOYL)-1H-BENZO[D]IMIDAZOL-2-YL)-PYRAZOL-5-CARBOXAMIDE] DERIVATIVES AND RELATED COMPOUNDS AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS FOR THE TREATMENT OF CANCER Mersana Therapeutics, Inc. (US) 2022-06-08 EP disclosed
US-20220064189-A1 STING AGONIST COMPOUNDS AND METHODS OF USE MERSANA THERAPEUTICS, INC. 2022-03-03 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 (3 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-11939343-B2 Sting agonist compounds and methods of use STING1, IRF3, MAVS STK17B 1154/4885STK17A 1045/4885BRD4 1562/4885
US-20220064189-A1 STING AGONIST COMPOUNDS AND METHODS OF USE STING1, IRF3, MAVS STK17B 1154/4885STK17A 1045/4885BRD4 1562/4885
US-20250011339-A1 STING AGONIST COMPOUNDS AND METHODS OF USE STING1, IRF3, MAVS STK17B 1154/4885STK17A 1045/4885BRD4 1562/4885

“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.