SCHEMBL21451792

SCHEMBL21451792

O=C(O)CN1CCc2nc(C(=O)N3CCc4c(-c5cccc6c5CCN6C(=O)c5nc6c(s5)CN(CC(=O)O)CC6)cccc43)sc2C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 17/20 0.45
CD274 Q9NZQ7 17/20 0.45
GAA P10253 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL29716182 0.95 PDCD1 (0.42) PDCD1CD274GAA
SCHEMBL21621006 0.95 PDCD1 (0.42) PDCD1CD274GAA
SCHEMBL22966491 0.95 PDCD1 (0.42) PDCD1CD274GAAHDAC3HDAC1
SCHEMBL21616705 0.94 PDCD1 (0.42) PDCD1CD274GAAHDAC3HDAC1
SCHEMBL21616699 0.94 PDCD1 (0.53) PDCD1CD274HDAC3HDAC1HDAC6
SCHEMBL21621008 0.94 PDCD1 (0.43) PDCD1CD274GAAHDAC3HDAC1
SCHEMBL29716258 0.94 PDCD1 (0.43) PDCD1CD274GAAHDAC3HDAC1
SCHEMBL21451812 0.93 PDCD1 (0.41) PDCD1CD274GAAHDAC3HDAC1
SCHEMBL21451811 0.93 PDCD1 (0.42) PDCD1CD274GAAHDAC3HDAC1
SCHEMBL21620986 0.92 PDCD1 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936475-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-05-10 CN disclosed
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 US disclosed
WO-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 WO 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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP PDCD1 409/4885CD274 148/4885GAA 2115/4885

“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.