SCHEMBL16777585

SCHEMBL16777585

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@]1(F)Cl

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 7/20 0.66
▸ P2RX1 P51575 4/20 0.66
▸ P2RX2 Q9UBL9 3/20 0.66
▸ P2RY1 P47900 6/20 0.63
▸ P2RX4 Q99571 6/20 0.63
▸ P2RY2 P41231 2/20 0.63
▸ SRC P12931 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ RNASEL Q05823 1/20 0.61
▸ MACROD2 A1Z1Q3 1/20 0.59
▸ SIRT6 Q8N6T7 1/20 0.59
▸ MACROD1 Q9BQ69 1/20 0.59
▸ TRPM2 O94759 1/20 0.59
▸ POLA1 P09884 1/20 0.57
▸ P2RX7 Q99572 1/20 0.57

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
SCHEMBL16777543 1.00 P2RX3 (0.66) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL16777347 0.91 P2RX3 (0.68) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL21465098 0.91 P2RX3 (0.68) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL30023799 0.91 P2RX3 (0.68) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL21465101 0.91 P2RX3 (0.68) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL23748621 0.90 P2RX3 (0.67) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL29511147 0.90 P2RX3 (0.67) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL16777985 0.90 POLA1 (0.58) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL16776966 0.90 POLA1 (0.58) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL22837322 0.90 P2RX3 (0.66) P2RX3P2RX1P2RX2P2RY1P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 — — US disclosed
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 — — US disclosed
EP-4234565-A2 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 ATEA Pharmaceuticals, Inc. (US) 2023-08-30 — — EP disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 — — US disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 — — US disclosed
US-20170198005-A1 2'-DICHLORO AND 2'-FLUORO-2'-CHLORO NUCLEOSIDE ANALOGUES FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2017-07-13 — — US disclosed
US-20170198005-A1 2'-DICHLORO AND 2'-FLUORO-2'-CHLORO NUCLEOSIDE ANALOGUES FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2017-07-13 — — US disclosed
WO-2015081297-A1 2'-DICHLORO AND 2'-FLUORO-2'-CHLORO NUCLEOSIDE ANALOGUES FOR HCV INFECTION IDENIX PHARMACEUTICALS, INC. (US) 2015-06-04 — — 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 (3 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-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP P2RX3 138/4885P2RX1 90/4885P2RX2 95/4885
US-11738038-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP P2RX3 138/4885P2RX1 90/4885P2RX2 95/4885
US-20170198005-A1 2'-DICHLORO AND 2'-FLUORO-2'-CHLORO NUCLEOSIDE ANALOGUES FOR HCV INFECTION HAVCR2, SLC29A2, SLC28A2 P2RX3 1278/4885P2RX1 1262/4885P2RX2 1306/4885

“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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