SCHEMBL25844194

SCHEMBL25844194

CC[C@H]1O[C@@H](n2cnc3c(NC)nc(N)nc32)[C@](C)(F)[C@@H]1C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.52
ADORA1 P30542 9/20 0.52
ADORA2B P29275 6/20 0.46
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
ADORA2A P29274 3/20 0.38

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
SCHEMBL26558208 0.91 ADORA3 (0.61) ADORA3ADORA1ADORA2BPGK1PGK2
SCHEMBL26326162 0.90 ADORA3 (0.57) ADORA3ADORA1ADORA2BPGK1PGK2
SCHEMBL24917056 0.86 ADORA1 (0.47) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL16186319 0.85 ADORA2A (0.43) ADORA3ADORA1ADORA2A
SCHEMBL14769912 0.85 ADORA2A (0.43) ADORA3ADORA1ADORA2A
SCHEMBL17452103 0.85 ADORA2A (0.43) ADORA3ADORA1ADORA2A
SCHEMBL18041228 0.84 ADORA3 (0.65) ADORA3ADORA1ADORA2BPGK1PGK2
SCHEMBL29363191 0.84 ADORA3 (0.65) ADORA3ADORA1ADORA2BPGK1PGK2
SCHEMBL25204813 0.84 ADORA3 (0.65) ADORA3ADORA1ADORA2BPGK1PGK2
SCHEMBL18061792 0.84 ADORA3 (0.65) ADORA3ADORA1ADORA2BPGK1PGK2

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-20240238324-A1 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 Atea Pharmaceuticals, Inc. (US) 2024-07-18 US disclosed
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 US disclosed
US-11707480-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-07-25 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 (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-11707480-B2 Highly active compounds against COVID-19 PNP, MTAP, ACE2 ADORA3 98/4885ADORA1 116/4885ADORA2B 217/4885
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC ADORA3 59/4885ADORA1 30/4885ADORA2B 80/4885
US-20240238324-A1 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 PNP, MTAP, ACE2 ADORA3 98/4885ADORA1 116/4885ADORA2B 217/4885

“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.