SCHEMBL21544572

SCHEMBL21544572

COc1cc(-c2cccc(-c3cccc(-c4ccc(CNCC5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)nc(Cl)c1CN1CC2(CNC(=O)C2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 1.00
PDCD1LG2 Q9BQ51 15/20 1.00
PDCD1 Q15116 5/20 0.77

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
SCHEMBL21506846 1.00 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21507212 0.92 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21563303 0.90 CD274 (0.81) CD274PDCD1LG2PDCD1
SCHEMBL21507165 0.88 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL29982390 0.88 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL27079333 0.88 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL27079120 0.88 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL27079113 0.88 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL29982687 0.88 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL21507452 0.87 PDCD1LG2 (1.00) CD274PDCD1LG2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4600247-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2025-08-13 EP disclosed
EP-3781556-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2025-06-18 EP disclosed
US-10899735-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2021-01-26 US disclosed
US-20190345131-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-14 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 (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-10899735-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 CD274 2/4885PDCD1LG2 3/4885PDCD1 1/4885
US-20190345131-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CD274 2/4885PDCD1LG2 3/4885PDCD1 1/4885

“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.