SCHEMBL21291131

SCHEMBL21291131

COc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC[C@H](C(=O)O)C5)c(OC)n4)c3Cl)c2Cl)cnc1CN

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 0.68

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
SCHEMBL21322386 0.89 PDCD1 (1.00) CD274PDCD1
SCHEMBL26338499 0.89 PDCD1 (1.00) CD274PDCD1
SCHEMBL21291132 0.88 PDCD1 (1.00) CD274PDCD1
SCHEMBL26339974 0.88 PDCD1 (1.00) CD274PDCD1
SCHEMBL21291123 0.88 PDCD1 (1.00) CD274PDCD1
SCHEMBL21290829 0.86 PDCD1 (0.86) CD274PDCD1
SCHEMBL21290997 0.86 PDCD1 (1.00) CD274PDCD1
SCHEMBL26339950 0.85 PDCD1 (0.76) CD274PDCD1
SCHEMBL21290984 0.84 PDCD1 (1.00) CD274PDCD1
SCHEMBL21290975 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 — — US disclosed
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 — — US disclosed
US-20210053946-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-02-25 — — US disclosed
US-10710986-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-14 — — US disclosed
US-20190270727-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-09-05 — — US disclosed
WO-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 — — 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 (4 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
US-20210053946-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CD274 2/4885PDCD1 1/4885PDCD1LG2 3/4885
US-10710986-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 CD274 2/4885PDCD1 1/4885PDCD1LG2 3/4885
US-20190270727-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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