SCHEMBL23949063

SCHEMBL23949063

COc1cc(-c2cccc(-c3cccc(-c4cnc(C5=NCCN5)c(OC)c4)c3Cl)c2Cl)cnc1C1=NCCN1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 14/20 0.62
▸ PDCD1 Q15116 7/20 0.62
▸ PDCD1LG2 Q9BQ51 7/20 0.55
▸ NISCH Q9Y2I1 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL24613605 0.81 CD274 (0.44) CD274PDCD1PDCD1LG2
SCHEMBL23949648 0.80 CD274 (0.56) CD274PDCD1PDCD1LG2
SCHEMBL21290731 0.77 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL23961499 0.73 CD274 (0.52) CD274PDCD1PDCD1LG2NISCHKCNH2
SCHEMBL27079047 0.71 CD274 (0.71) CD274PDCD1PDCD1LG2
SCHEMBL29982989 0.71 CD274 (0.71) CD274PDCD1PDCD1LG2
SCHEMBL21507084 0.71 CD274 (1.00) CD274PDCD1PDCD1LG2NISCH
SCHEMBL21291130 0.70 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL8199611 0.69 NISCH (0.63) NISCH
SCHEMBL21289963 0.69 CD274 (1.00) CD274PDCD1PDCD1LG2

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
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 — — EP disclosed
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.

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