SCHEMBL21015191

SCHEMBL21015191

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.53
▸ ADORA1 P30542 8/20 0.53
▸ ADORA2B P29275 5/20 0.47
▸ PGK1 P00558 1/20 0.41
▸ PGK2 P07205 1/20 0.41
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ AHCY P23526 2/20 0.38
▸ ADORA2A P29274 1/20 0.37

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
SCHEMBL21015427 0.93 ADORA3 (0.52) ADORA3ADORA1ADORA2BPGK1PGK2
SCHEMBL31228106 0.89 ADORA3 (0.52) ADORA3ADORA1ADORA2BPGK1PGK2
SCHEMBL21016259 0.89 P2RY1 (0.42) ADORA3ADORA1ADORA2BHTR2CHTR2B
SCHEMBL19859703 0.88 ADORA2A (0.46) ADORA3ADORA1AHCYADORA2A
SCHEMBL21015441 0.85 P2RY1 (0.47) ADORA3ADORA1ADORA2B
SCHEMBL19778486 0.84 HTR2C (0.41) ADORA3ADORA1PGK1PGK2HTR2C
SCHEMBL16647595 0.83 ADORA2A (0.39) ADORA3ADORA1ADORA2BPGK1PGK2
SCHEMBL21015753 0.83 P2RY1 (0.50) ADORA3ADORA1ADORA2B
SCHEMBL19778361 0.82 ADORA3 (0.45) ADORA3ADORA1ADORA2BPGK1PGK2
SCHEMBL19777952 0.82 ADORA2A (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711029-B2 Beta-d-2′-deoxy-2′-alpha-fluoro-2′-beta-c-substituted-4′fluoro-n6-substituted-6-amino-2-substituted purine nucleotides for the treatment of hepatitis c virus infection Atea Pharmaceuticals, Inc. (US) 2020-07-14 — — US disclosed
US-20190153017-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-4'-FLUORO-N6-SUBSTITUTED-6-AMINO-2-SUBSTITUTED PURINE NUCLEOTIDES FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTION Atea Pharmaceuticals, Inc. (US) 2019-05-23 — — 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-20190153017-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-4'-FLUORO-N6-SUBSTITUTED-6-AMINO-2-SUBSTITUTED PURINE NUCLEOTIDES FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTION PNP, SLC29A2, NT5C2 ADORA3 27/4885ADORA1 34/4885ADORA2B 30/4885
US-10711029-B2 Beta-d-2′-deoxy-2′-alpha-fluoro-2′-beta-c-substituted-4′fluoro-n6-substituted-6-amino-2-substituted purine nucleotides for the treatment of hepatitis c virus infection PNP, SLC29A2, NT5C2 ADORA3 27/4885ADORA1 31/4885ADORA2B 29/4885

“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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