SCHEMBL21563017

SCHEMBL21563017

COc1cc(-c2cccc(-c3cccc(-c4ccc(CNCCO)c(OC)n4)c3Cl)c2Cl)ccc1CNCCO

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 19/20 1.00
▸ PDCD1 Q15116 1/20 0.64

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
SCHEMBL21507116 0.92 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21507319 0.89 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21507115 0.89 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21506917 0.89 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL27079514 0.88 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL29983332 0.88 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL29982787 0.86 CD274 (0.76) CD274PDCD1LG2PDCD1
SCHEMBL27080057 0.86 CD274 (0.76) CD274PDCD1LG2PDCD1
SCHEMBL30433156 0.86 CD274 (0.89) CD274PDCD1LG2PDCD1
SCHEMBL21506911 0.86 CD274 (1.00) CD274PDCD1LG2PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.

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