SCHEMBL21618751

SCHEMBL21618751

COc1nc(-c2cccc(-c3cccc4c3CC[C@@H]4Oc3nc(OC)c(CN(C)CCC(=O)O)cc3Cl)c2Cl)ccc1CN[C@H]1CCCC[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 0.70
CD274 Q9NZQ7 20/20 0.70

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
SCHEMBL21618623 0.99 PDCD1 (0.70) PDCD1CD274
SCHEMBL23949128 0.88 CD274 (0.75) PDCD1CD274
SCHEMBL21618832 0.85 PDCD1 (0.70) PDCD1CD274
SCHEMBL23961398 0.84 CD274 (0.70) PDCD1CD274
SCHEMBL23949398 0.84 CD274 (0.70) PDCD1CD274
SCHEMBL23949154 0.84 PDCD1 (0.90) PDCD1CD274
SCHEMBL21618750 0.82 PDCD1 (1.00) PDCD1CD274
SCHEMBL21618620 0.81 PDCD1 (1.00) PDCD1CD274
SCHEMBL23949092 0.81 PDCD1 (0.86) PDCD1CD274
SCHEMBL23949100 0.81 CD274 (0.68) PDCD1CD274

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
US-10774071-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
US-20200017471-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2020-01-16 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-10774071-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 PDCD1 1/4885CD274 2/4885
US-20200017471-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 PDCD1 1/4885CD274 2/4885

“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.