SCHEMBL25565137

SCHEMBL25565137

COc1ccc(N2CCN(CCn3c(=O)sc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)c1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.76
ADORA1 P30542 1/20 0.52

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
SCHEMBL24832626 0.92 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL23589138 0.91 ADORA2A (0.69) ADORA2A
SCHEMBL24446021 0.90 ADORA2A (0.75) ADORA2A
SCHEMBL20521557 0.90 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL29755460 0.90 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL23589225 0.90 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL20521737 0.90 ADORA2A (0.77) ADORA2A
SCHEMBL24445773 0.90 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL24445772 0.90 ADORA2A (0.66) ADORA2A
SCHEMBL20521520 0.90 ADORA2A (0.70) 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 1 patent. 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

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 1/4885ADORA1 3/4885

“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.