SCHEMBL21833074

SCHEMBL21833074

NC(=O)COc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)cc43)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.70
ADORA1 P30542 2/20 0.61

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
SCHEMBL21832966 0.94 ADORA2A (0.79) ADORA2AADORA1
SCHEMBL21832443 0.90 ADORA2A (0.78) ADORA2AADORA1
SCHEMBL21833248 0.90 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL21832351 0.89 ADORA2A (0.68) ADORA2AADORA1
SCHEMBL21833282 0.89 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL21833374 0.88 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL21833941 0.88 ADORA2A (0.89) ADORA2AADORA1
SCHEMBL21833392 0.87 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL21833542 0.86 ADORA2A (0.66) ADORA2AADORA1
SCHEMBL21832696 0.85 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230098694-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ITEOS BELGIUM S A (BE) 2023-03-30 US disclosed
US-11427594-B2 Non brain penetrant A2A inhibitors and methods for use in the treatment of cancers iTeos Belgium SA (BE) 2022-08-30 US disclosed
US-20200102319-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2020-04-02 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 (3 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-20200102319-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885
US-11427594-B2 Non brain penetrant A2A inhibitors and methods for use in the treatment of cancers ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885
US-20230098694-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS 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.