SCHEMBL23202653

SCHEMBL23202653

Cc1cc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)nc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ C5AR1 P21730 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ F12 P00748 1/20 0.36
▸ MAP3K5 Q99683 4/20 0.36
▸ LIPE Q05469 3/20 0.36
▸ MKNK1 Q9BUB5 3/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ ESR2 Q92731 1/20 0.34

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
SCHEMBL23198768 0.96 PARP1 (0.40) RAF1BRAFUSP30PARP1TNKS2
SCHEMBL23202633 0.93 PARP1 (0.39) RAF1BRAFUSP30PARP1TNKS2
SCHEMBL25314059 0.87 USP30 (0.42) USP30PARP1TNKS2PARP2BACE1
SCHEMBL30389164 0.87 USP30 (0.42) USP30PARP1TNKS2PARP2BACE1
SCHEMBL30389125 0.85 PDCD1 (0.42) USP30BACE1MAP3K5LIPEMAPK8
SCHEMBL25314286 0.85 PDCD1 (0.42) USP30BACE1MAP3K5LIPEMAPK8
SCHEMBL23202652 0.84 PARP1 (0.43) RAF1BRAFPARP1TNKS2PARP2
SCHEMBL20293441 0.82 PDCD1 (0.49) —
SCHEMBL29593538 0.82 PDCD1 (0.49) —
SCHEMBL25314447 0.81 MAP3K5 (0.47) USP30MAP3K5LIPEESR2

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 RAF1 56/4885BRAF 79/4885USP30 3977/4885

“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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