SCHEMBL23198770

SCHEMBL23198770

Cc1cc(C(=O)Nc2cccc(-c3cccc(-c4nc5cc(CN(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)ccc5o4)c3C)c2C)nc2c1CCN(CCO[Si](C)(C)C(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ PDCD1 Q15116 15/20 0.38
▸ CD274 Q9NZQ7 15/20 0.38
▸ TP53 P04637 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL23202407 0.86 PDCD1 (0.41) PDCD1CD274
SCHEMBL24758899 0.86 PDCD1 (0.41) PDCD1CD274
SCHEMBL23201497 0.84 PDCD1 (0.36) PDCD1CD274
SCHEMBL23198441 0.84 PDCD1 (0.37) PDCD1CD274
SCHEMBL23201345 0.82 PDCD1 (0.47) PDCD1CD274
SCHEMBL23200090 0.80 PDCD1 (0.39) PDCD1CD274
SCHEMBL24758520 0.80 PDCD1 (0.44) PDCD1CD274
SCHEMBL23201567 0.78 PDCD1 (0.51) PDCD1CD274
SCHEMBL24759616 0.77 LMNA (0.37) LMNAPDCD1CD274TP53USP2
SCHEMBL23198481 0.76 PDCD1 (0.47) 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
US-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2022-12-22 — — US disclosed
EP-4043461-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2022-08-17 — — EP disclosed
WO-2021063404-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-04-08 — — 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-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF CD274, PDCD1, PDCD1LG2 LMNA 3901/4885PDCD1 2/4885CD274 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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