SCHEMBL23949394

SCHEMBL23949394

CNCc1ccc(-c2cccc(-c3cccc4c3CC[C@@H]4Oc3nc(OC)c(CN[C@@](C)(CCO)C(=O)O)cc3Cl)c2Cl)nc1OC

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.67
PDCD1 Q15116 19/20 0.67
PDCD1LG2 Q9BQ51 1/20 0.58

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
SCHEMBL23949115 0.92 PDCD1 (0.59) CD274PDCD1
SCHEMBL23949131 0.88 PDCD1 (0.77) CD274PDCD1
SCHEMBL23961398 0.86 CD274 (0.70) CD274PDCD1PDCD1LG2
SCHEMBL23949398 0.86 CD274 (0.70) CD274PDCD1PDCD1LG2
SCHEMBL23948985 0.85 PDCD1 (0.90) CD274PDCD1
SCHEMBL23949751 0.85 PDCD1 (0.90) CD274PDCD1
SCHEMBL23949508 0.83 PDCD1 (0.76) CD274PDCD1
SCHEMBL21618966 0.80 PDCD1 (1.00) CD274PDCD1
SCHEMBL22924715 0.80 PDCD1 (1.00) CD274PDCD1
SCHEMBL21619016 0.80 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 CD274 1/4885PDCD1 2/4885PDCD1LG2 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.