SCHEMBL30486766

SCHEMBL30486766

COc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CNC(=O)C6)C5)c(OC)n4)c3Cl)c2Cl)ccc1C1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 1.00
▸ PDCD1 Q15116 18/20 1.00
▸ PDCD1LG2 Q9BQ51 2/20 0.81

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
SCHEMBL21274554 1.00 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21507337 0.89 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290696 0.89 PDCD1 (1.00) CD274PDCD1
SCHEMBL26318608 0.88 CD274 (0.79) CD274PDCD1PDCD1LG2
SCHEMBL21290970 0.87 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290684 0.86 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21291127 0.85 PDCD1 (1.00) CD274PDCD1
SCHEMBL21289973 0.84 PDCD1 (1.00) CD274PDCD1
SCHEMBL21290019 0.84 PDCD1 (1.00) CD274PDCD1
SCHEMBL30486767 0.84 PDCD1 (1.00) CD274PDCD1

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
CN-118084940-A PD-1/PD-L1 inhibitors 吉利德科学公司 2024-05-28 — — CN disclosed
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 — — 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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CD274 2/4885PDCD1 1/4885PDCD1LG2 3/4885

“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.

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