SCHEMBL19833071

SCHEMBL19833071

CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@H](C)C(=O)OC)Oc2ccccc2)[C@@H](O)[C@@]1(C)F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
NT5E P21589 2/20 0.41
ADORA3 P0DMS8 5/20 0.39
ADORA1 P30542 5/20 0.39
ADORA2B P29275 3/20 0.39
ADORA2A P29274 2/20 0.39
BTN3A1 O00481 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
SCHEMBL18067101 1.00 CYP3A4 (0.55) CYP3A4CYP2C9NT5EADORA3ADORA1
SCHEMBL19644781 1.00 CYP3A4 (0.55) CYP3A4CYP2C9NT5EADORA3ADORA1
SCHEMBL18067100 1.00 CYP3A4 (0.55) CYP3A4CYP2C9NT5EADORA3ADORA1
SCHEMBL21101684 1.00 CYP3A4 (0.55) CYP3A4CYP2C9NT5EADORA3ADORA1
SCHEMBL19644780 1.00 CYP3A4 (0.55) CYP3A4CYP2C9NT5EADORA3ADORA1
SCHEMBL23790918 0.95 CYP3A4 (0.54) CYP3A4CYP2C9NT5EADORA3ADORA1
SCHEMBL18067104 0.95 CYP3A4 (0.54) CYP3A4CYP2C9NT5EADORA3ADORA1
SCHEMBL19644709 0.95 CYP3A4 (0.54) CYP3A4CYP2C9NT5EADORA3ADORA1
SCHEMBL19644707 0.95 CYP3A4 (0.54) CYP3A4CYP2C9NT5EADORA3ADORA1
SCHEMBL19644708 0.95 CYP3A4 (0.54) CYP3A4CYP2C9NT5EADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210275563-A1 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 Atea Pharmaceuticals, Inc. (US) 2021-09-09 US disclosed
US-20210009628-A1 Beta-D-2'-DEOXY-2'-Alpha-FLUORO-2'-Beta-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT Atea Pharmaceuticals, Inc. (US) 2021-01-14 US disclosed
US-10874687-B1 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2020-12-29 US disclosed
US-10815266-B2 β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment Atea Pharmaceuticals, Inc. (US) 2020-10-27 US disclosed
US-20190177356-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT Atea Pharmaceuticals, Inc. (US) 2019-06-13 US disclosed
US-10000523-B2 β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment Atea Pharmaceuticals, Inc. (US) 2018-06-19 US disclosed
US-20180030081-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT Atea Pharmaceuticals, Inc. 2018-02-01 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 (7 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 CYP3A4 2868/4885CYP2C9 1842/4885NT5E 28/4885
US-20210009628-A1 Beta-D-2'-DEOXY-2'-Alpha-FLUORO-2'-Beta-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT NSUN2, NUDT1, DCTD CYP3A4 3614/4885CYP2C9 3851/4885NT5E 62/4885
US-20180030081-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT NSUN2, NUDT1, DCTD CYP3A4 3614/4885CYP2C9 3851/4885NT5E 62/4885
US-10815266-B2 β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment NSUN2, PNP, NUDT1 CYP3A4 3228/4885CYP2C9 3652/4885NT5E 49/4885
US-10000523-B2 β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment NSUN2, PNP, NUDT1 CYP3A4 3228/4885CYP2C9 3652/4885NT5E 49/4885
US-20210275563-A1 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 PNP, MTAP, ACE2 CYP3A4 2868/4885CYP2C9 1842/4885NT5E 28/4885
US-20190177356-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT NSUN2, NUDT1, DCTD CYP3A4 3614/4885CYP2C9 3851/4885NT5E 62/4885

“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.