SCHEMBL19828009

SCHEMBL19828009

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.36
ADORA1 P30542 6/20 0.36
P2RY1 P47900 4/20 0.35
ADORA2B P29275 4/20 0.34
ADORA2A P29274 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NT5E P21589 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
SCHEMBL19828012 0.90 CYP3A4 (0.40) ADORA3ADORA1P2RY1ADORA2BADORA2A
SCHEMBL19822459 0.90 CYP3A4 (0.40) ADORA3ADORA1P2RY1ADORA2BADORA2A
SCHEMBL19828007 0.85 CYP3A4 (0.47) ADORA3ADORA1ADORA2BADORA2ACYP3A4
SCHEMBL22580294 0.85 CYP3A4 (0.47) ADORA3ADORA1ADORA2BADORA2ACYP3A4
SCHEMBL19822460 0.83 CYP3A4 (0.40) ADORA3ADORA1P2RY1CYP3A4CYP2C9
SCHEMBL19822461 0.83 CYP3A4 (0.40) ADORA3ADORA1P2RY1CYP3A4CYP2C9
SCHEMBL22564642 0.82 ADORA3 (0.40) ADORA3ADORA1P2RY1ADORA2BADORA2A
SCHEMBL21137191 0.81 CYP3A4 (0.47) CYP3A4CYP2C9NT5E
SCHEMBL23790919 0.81 ADORA3 (0.47) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL22808634 0.81 ADORA3 (0.47) ADORA3ADORA1ADORA2BADORA2ANT5E

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-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

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 ADORA3 52/4885ADORA1 53/4885P2RY1 36/4885
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 ADORA3 65/4885ADORA1 74/4885P2RY1 72/4885

“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.