SCHEMBL19778484

SCHEMBL19778484

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.41
▸ HTR2B P41595 4/20 0.41
▸ TMIGD3 P0DMS9 3/20 0.41
▸ LMNA P02545 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.35
▸ AHCY P23526 4/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ ADA P00813 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL21015893 0.90 HTR2C (0.41) HTR2CHTR2BTMIGD3ADORA3ADORA2A
SCHEMBL19778486 0.89 HTR2C (0.41) HTR2CHTR2BTMIGD3ADORA3AHCY
SCHEMBL19777952 0.81 ADORA2A (0.36) HTR2CHTR2BTMIGD3ADORA3AHCY
SCHEMBL19644740 0.80 ADORA2A (0.47) HTR2CHTR2BTMIGD3LMNANT5E
SCHEMBL19778494 0.79 CCNE2 (0.37) HTR2CHTR2BTMIGD3NT5EADORA3
SCHEMBL19778108 0.79 CCNE2 (0.37) HTR2CHTR2BTMIGD3NT5EADORA3
SCHEMBL19859703 0.78 ADORA2A (0.46) LMNANT5EHIF1AADORA3AHCY
SCHEMBL21015826 0.77 HTR2C (0.32) HTR2CHTR2BADORA3ADORA2AADORA2B
SCHEMBL19765995 0.76 HTR2C (0.44) HTR2CHTR2BTMIGD3LMNANT5E
SCHEMBL21016259 0.76 P2RY1 (0.42) HTR2CHTR2BADORA3AHCYADORA2A

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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