SCHEMBL25539381

SCHEMBL25539381

CCCn1c(=O)sc2c1nc(N)n1nc(-c3ccco3)nc21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.58
ADORA3 P0DMS8 14/20 0.55
ADORA1 P30542 13/20 0.55
ADORA2B P29275 12/20 0.55

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
SCHEMBL20521455 0.90 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL20521374 0.89 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL20521328 0.86 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL20521819 0.85 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL24398265 0.85 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL20521827 0.84 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL24832629 0.81 ADORA2A (0.73) ADORA2AADORA1
SCHEMBL20521590 0.80 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL24445767 0.79 ADORA2A (0.62) ADORA2AADORA1
SCHEMBL20521426 0.79 ADORA2A (0.62) ADORA2AADORA1

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-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

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-20230159564-A1 2-Oxo-Thiazole Derivatives as A2A Inhibitors and Compounds for Use in the Treatment of Cancers ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 4/4885

“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.