SCHEMBL29984044

SCHEMBL29984044

COc1cc(Br)ccc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.37
PDCD1 Q15116 1/20 0.37
IRAK4 Q9NWZ3 10/20 0.36
PYCR1 P32322 1/20 0.36
IRAK1 P51617 1/20 0.35
KCNA5 P22460 1/20 0.34
MAPK1 P28482 1/20 0.34
PDCD1LG2 Q9BQ51 2/20 0.34
TSHR P16473 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34

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
SCHEMBL27147971 0.87 CD274 (0.40) CD274PDCD1IRAK4PYCR1KCNA5
SCHEMBL27036518 0.87 CD274 (0.40) CD274PDCD1IRAK4PYCR1KCNA5
SCHEMBL23603797 0.83 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL29983594 0.83 PRMT5 (0.38) CD274PDCD1IRAK4IRAK1KCNA5
SCHEMBL23725248 0.80 SSTR4 (0.36) CD274PDCD1IRAK4KCNA5PDCD1LG2
SCHEMBL23726417 0.79 IRAK4 (0.35) CD274PDCD1IRAK4MAPK1PDCD1LG2
SCHEMBL23725774 0.79 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL29983788 0.78 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL27080225 0.78 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL31095957 0.76 IRAK4 (0.35) IRAK4IRAK1KCNA5

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
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-25 US disclosed
WO-2024069448-A1 SUBSTITUTED 1-ARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1-HETEROARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-04-04 WO disclosed
EP-4313968-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2024-02-07 EP disclosed
WO-2024018403-A1 SUBSTITUTED IMIDAZOAMIDE COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-01-25 WO disclosed
WO-2022208269-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-10-06 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-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME HAVCR2, HDGF, HCCS CD274 48/4885PDCD1 32/4885IRAK4 1959/4885

“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.