SCHEMBL29755366

SCHEMBL29755366

CC(C)(O)c1ccc(N2CCN(CCn3c(=O)sc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)c1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.72

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
SCHEMBL21330986 1.00 ADORA2A (0.72) ADORA2A
SCHEMBL21833481 0.90 ADORA2A (0.59) ADORA2A
SCHEMBL24445775 0.89 ADORA2A (0.77) ADORA2A
SCHEMBL24446021 0.89 ADORA2A (0.75) ADORA2A
SCHEMBL29755460 0.89 ADORA2A (0.70) ADORA2A
SCHEMBL20521557 0.89 ADORA2A (0.70) ADORA2A
SCHEMBL25541278 0.88 ADORA2A (0.74) ADORA2A
SCHEMBL20521505 0.88 ADORA2A (0.77) ADORA2A
SCHEMBL21887098 0.88 ADORA2A (0.75) ADORA2A
SCHEMBL24445996 0.87 ADORA2A (0.72) ADORA2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4135703-A1 METHODS AND FORMULATIONS FOR ADMINISTRATION OF THIOCARBAMATE DERIVATIVES A2A INHIBITORS iTeos Belgium SA (BE) 2023-02-22 EP claimed
WO-2025104613-A1 ENT1 INHIBITORS IN COMBINATION WITH CHECKPOINT INHIBITORS iTeos Belgium SA (BE) 2025-05-22 WO disclosed
WO-2024194392-A1 MULTICOMPONENT COMPLEXES, INCLUDING SALTS AND CRYSTALLINE COMPLEXES, OF ENT1 INHIBITORS iTeos Belgium SA (BE) 2024-09-26 WO disclosed
WO-2024134541-A1 HETEROCYCLIC COMPOUNDS AS ENT INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2024-06-27 WO disclosed
US-20240141436-A1 Compounds, Compositions and Methods of Treatment Thereof iTeos Belgium SA (BE) 2024-05-02 US disclosed
WO-2024040036-A2 ADENOSINE RECEPTOR ANTAGONISTS AND COMPOSITIONS THEREOF FOR USE IN THE TREATMENT OF DISEASE ASSOCIATED WITH EXPRESSION OF AT LEAST ONE ANTIBODY-SECRETING CELL MARKER iTeos Belgium SA (US) 2024-02-22 WO disclosed
EP-4294948-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT THEREOF iTeos Belgium SA (BE) 2023-12-27 EP disclosed
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-06-29 US disclosed
US-20230165863-A1 METHODS AND FORMULATIONS FOR ADMINISTRATION OF THIOCARBAMATE DERIVIATIVES A2A INHIBITORS iTeos Belgium SA (BE) 2023-06-01 US disclosed
US-20230159564-A1 2-Oxo-Thiazole Derivatives as A2A Inhibitors and Compounds for Use in the Treatment of Cancers iTeos Belgium SA (BE) 2023-05-25 US disclosed
US-20230121530-A1 THIOCARBAMATE DERIVATIVES AS A2A INHIBITORS, PHARMACEUTICAL COMPOSITION THEREOF AND COMBINATIONS WITH ANTICANCER AGENTS iTeos Belgium SA (BE) 2023-04-20 US disclosed
EP-4135703-A1 METHODS AND FORMULATIONS FOR ADMINISTRATION OF THIOCARBAMATE DERIVATIVES A2A INHIBITORS iTeos Belgium SA (BE) 2023-02-22 EP disclosed
EP-4132933-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-02-15 EP disclosed
EP-4110784-A1 PYRIMIDO[5,4-D]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-01-04 EP disclosed
WO-2022178135-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT THEREOF ITEOS BELGUIM SA (US) 2022-08-25 WO disclosed
US-11376255-B2 Thiocarbamate derivatives as A2A inhibitors, pharmaceutical composition thereof and combinations with anticancer agents iTeos Belgium SA (BE) 2022-07-05 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 (6 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-11376255-B2 Thiocarbamate derivatives as A2A inhibitors, pharmaceutical composition thereof and combinations with anticancer agents ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD1, SLC29A1, ENTPD5 ADORA2A 10/4885
US-20230165863-A1 METHODS AND FORMULATIONS FOR ADMINISTRATION OF THIOCARBAMATE DERIVIATIVES A2A INHIBITORS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885
US-20240141436-A1 Compounds, Compositions and Methods of Treatment Thereof ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885
US-20230159564-A1 2-Oxo-Thiazole Derivatives as A2A Inhibitors and Compounds for Use in the Treatment of Cancers ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885
US-20230121530-A1 THIOCARBAMATE DERIVATIVES AS A2A INHIBITORS, PHARMACEUTICAL COMPOSITION THEREOF AND COMBINATIONS WITH ANTICANCER AGENTS ADORA2A, ADORA2B, ADORA1 ADORA2A 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.