SCHEMBL19822459

SCHEMBL19822459

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
ADORA3 P0DMS8 6/20 0.39
ADORA1 P30542 6/20 0.39
ADORA2B P29275 4/20 0.36
ADORA2A P29274 3/20 0.36
BTN3A1 O00481 1/20 0.35
P2RY1 P47900 2/20 0.35

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
SCHEMBL19828012 1.00 CYP3A4 (0.40) CYP3A4CYP2C9ADORA3ADORA1ADORA2B
SCHEMBL19822460 0.93 CYP3A4 (0.40) CYP3A4CYP2C9ADORA3ADORA1BTN3A1
SCHEMBL19828009 0.90 ADORA3 (0.36) CYP3A4CYP2C9ADORA3ADORA1ADORA2B
SCHEMBL19822461 0.89 CYP3A4 (0.40) CYP3A4CYP2C9ADORA3ADORA1P2RY1
SCHEMBL21137191 0.87 CYP3A4 (0.47) CYP3A4CYP2C9BTN3A1
SCHEMBL18067100 0.85 CYP3A4 (0.55) CYP3A4CYP2C9ADORA3ADORA1ADORA2B
SCHEMBL21101684 0.85 CYP3A4 (0.55) CYP3A4CYP2C9ADORA3ADORA1ADORA2B
SCHEMBL19644780 0.85 CYP3A4 (0.55) CYP3A4CYP2C9ADORA3ADORA1ADORA2B
SCHEMBL18067101 0.85 CYP3A4 (0.55) CYP3A4CYP2C9ADORA3ADORA1ADORA2B
SCHEMBL19833071 0.85 CYP3A4 (0.55) CYP3A4CYP2C9ADORA3ADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005811-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) 2018-06-26 US disclosed
US-10005811-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) 2018-06-26 US disclosed
US-20180030082-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
US-20180030082-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 (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-10005811-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 3492/4885CYP2C9 3976/4885ADORA3 52/4885
US-20180030082-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 3731/4885CYP2C9 3994/4885ADORA3 65/4885

“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.