SCHEMBL23201228

SCHEMBL23201228

CCOC(=O)c1cc(OCc2cncc(C#N)c2)c2c(n1)CNCC2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 19/20 0.38
PDCD1 Q15116 15/20 0.38
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL23199094 0.81 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL23201230 0.80 ADORA1 (0.40) CD274PDCD1
SCHEMBL24759060 0.79 KDM4E (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL23200186 0.77 ADORA1 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL23201234 0.76 CD274 (0.36) CD274PDCD1
SCHEMBL23198439 0.74 ADORA1 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL24759623 0.73 ADORA1 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL24758541 0.72 ADORA1 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL17540955 0.72 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL24722779 0.70 ADORA1 (0.40) SLC6A2SLC6A4SLC6A3

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 CD274 1/4885PDCD1 2/4885SLC6A2 3278/4885

“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.