SCHEMBL22837340

SCHEMBL22837340

CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CCOP(=O)(O)O)[C@@H](O)[C@@]1(C)F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.49
▸ ADORA1 P30542 3/20 0.49
▸ ADORA2B P29275 1/20 0.45
▸ P2RY1 P47900 3/20 0.44
▸ NT5E P21589 1/20 0.43
▸ CA5A P35218 1/20 0.40

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
SCHEMBL18067076 0.91 P2RY1 (0.51) ADORA3ADORA1ADORA2BP2RY1NT5E
SCHEMBL26027902 0.90 NT5E (0.49) ADORA1P2RY1NT5ECA5A
SCHEMBL18067078 0.87 GPR17 (0.51) ADORA3ADORA1ADORA2BP2RY1NT5E
At-9010 SCHEMBL18067079 0.86 GPR17 (0.52) ADORA3ADORA1ADORA2BP2RY1NT5E
At-9010 SCHEMBL25844490 0.86 GPR17 (0.52) ADORA3ADORA1ADORA2BP2RY1NT5E
SCHEMBL25918396 0.85 ADORA3 (0.46) ADORA3ADORA1ADORA2BP2RY1NT5E
SCHEMBL28601543 0.85 ADORA3 (0.56) ADORA3ADORA1ADORA2BNT5E
SCHEMBL19828113 0.84 ADORA1 (0.52) ADORA3ADORA1ADORA2BP2RY1NT5E
SCHEMBL19644694 0.84 ADORA1 (0.52) ADORA3ADORA1ADORA2BP2RY1NT5E
SCHEMBL25204813 0.84 ADORA3 (0.65) ADORA3ADORA1ADORA2B

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-10874687-B1 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2020-12-29 — — 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-10874687-B1 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.

Send feedback