SCHEMBL24445980

SCHEMBL24445980

CSc1ccc(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
SCHEMBL21338840 0.91 ADORA2A (0.75) ADORA2A
SCHEMBL24446021 0.90 ADORA2A (0.75) ADORA2A
SCHEMBL24445771 0.89 ADORA2A (0.69) ADORA2A
SCHEMBL24445775 0.89 ADORA2A (0.77) ADORA2A
SCHEMBL21887098 0.89 ADORA2A (0.75) ADORA2A
SCHEMBL24445767 0.89 ADORA2A (0.62) ADORA2A
SCHEMBL25565137 0.88 ADORA2A (0.76) ADORA2A
SCHEMBL24445996 0.88 ADORA2A (0.72) ADORA2A
SCHEMBL25541278 0.88 ADORA2A (0.74) ADORA2A
SCHEMBL20522124 0.88 ADORA2A (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165863-A1 METHODS AND FORMULATIONS FOR ADMINISTRATION OF THIOCARBAMATE DERIVIATIVES A2A INHIBITORS iTeos Belgium SA (BE) 2023-06-01 US disclosed
EP-4112623-A1 2-OXO-THIAZOLE DERIVATIVES AS A2A INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2023-01-04 EP disclosed
EP-3601296-B1 2-OXO-THIAZOLE DERIVATIVES AS A2A INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2022-05-25 EP 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-20230165863-A1 METHODS AND FORMULATIONS FOR ADMINISTRATION OF THIOCARBAMATE DERIVIATIVES A2A INHIBITORS 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.