SCHEMBL21136490

SCHEMBL21136490

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

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 15/20 0.71
▸ ADORA3 P0DMS8 1/20 0.60
▸ ADORA1 P30542 1/20 0.60
▸ CA5A P35218 1/20 0.58

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
SCHEMBL21136887 1.00 NT5E (0.71) NT5EADORA3ADORA1CA5A
SCHEMBL21136889 0.93 NT5E (0.67) NT5EADORA3ADORA1
SCHEMBL21136489 0.93 NT5E (0.67) NT5EADORA3ADORA1
SCHEMBL21136515 0.92 NT5E (0.66) NT5EADORA3ADORA1
SCHEMBL21136528 0.92 NT5E (0.66) NT5EADORA3ADORA1
SCHEMBL17010790 0.92 ADORA1 (0.72) NT5EADORA3ADORA1CA5A
SCHEMBL15305336 0.92 ADORA1 (0.72) NT5EADORA3ADORA1CA5A
SCHEMBL24784523 0.90 ADORA1 (0.61) NT5EADORA3ADORA1CA5A
SCHEMBL21136568 0.89 ADORA3 (0.62) NT5EADORA3ADORA1
SCHEMBL21136169 0.89 NT5E (0.72) NT5EADORA3ADORA1CA5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10946033-B2 2′-substituted-N6-substituted purine nucleotides for RNA virus treatment Atea Pharmaceuticals, Inc. (US) 2021-03-16 — — US disclosed
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT Atea Pharmaceuticals, Inc. (US) 2019-07-04 — — 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 (2 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-10946033-B2 2′-substituted-N6-substituted purine nucleotides for RNA virus treatment NSUN2, ADAR, NSUN3 NT5E 90/4885ADORA3 67/4885ADORA1 121/4885
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 NT5E 92/4885ADORA3 59/4885ADORA1 115/4885

“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.

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