SCHEMBL19778486

SCHEMBL19778486

CN(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@](F)(CO)[C@@H](O)[C@@]1(C)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.41
▸ HTR2B P41595 4/20 0.41
▸ TMIGD3 P0DMS9 3/20 0.41
▸ CYP2C19 P33261 1/20 0.38
▸ ADORA2A P29274 2/20 0.37
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ AHCY P23526 1/20 0.34
▸ SLC29A1 Q99808 5/20 0.34
▸ ADA P00813 1/20 0.33
▸ PGK1 P00558 1/20 0.33
▸ PGK2 P07205 1/20 0.33
▸ HSP90B1 P14625 1/20 0.32

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
SCHEMBL19777952 0.92 ADORA2A (0.36) HTR2CHTR2BTMIGD3CYP2C19ADORA2A
SCHEMBL19778108 0.90 CCNE2 (0.37) HTR2CHTR2BTMIGD3CYP2C19ADORA2A
SCHEMBL19778494 0.90 CCNE2 (0.37) HTR2CHTR2BTMIGD3CYP2C19ADORA2A
SCHEMBL21015893 0.89 HTR2C (0.41) HTR2CHTR2BTMIGD3ADORA2AADORA3
SCHEMBL19778484 0.89 HTR2C (0.41) HTR2CHTR2BTMIGD3ADORA2AADORA3
SCHEMBL19859703 0.88 ADORA2A (0.46) CYP2C19ADORA2AADORA3ADORA1AHCY
SCHEMBL21015896 0.85 P2RY1 (0.41) ADORA3
SCHEMBL21015191 0.84 ADORA3 (0.53) HTR2CHTR2BADORA2AADORA3ADORA1
SCHEMBL16647595 0.83 ADORA2A (0.39) CYP2C19ADORA2AADORA3ADORA1AHCY
SCHEMBL21015897 0.83 P2RY1 (0.43) ADORA3

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 5 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-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
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
WO-2018013937-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) 2018-01-18 — — WO 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 HTR2C 1522/4885HTR2B 2105/4885TMIGD3 4380/4885
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 HTR2C 1604/4885HTR2B 2248/4885TMIGD3 4300/4885

“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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