SCHEMBL3929236

SCHEMBL3929236

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(F)nc21

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.77
ADA P00813 1/20 0.69
LMNA P02545 1/20 0.63
NT5E P21589 1/20 0.63
HIF1A Q16665 1/20 0.63
ADORA3 P0DMS8 9/20 0.54
ADORA1 P30542 7/20 0.54
ADORA2B P29275 5/20 0.54
ALOX15 P16050 1/20 0.54
AHCY P23526 2/20 0.52
CA5A P35218 1/20 0.48

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
SCHEMBL10137892 0.89 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL10169502 0.89 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL873738 0.89 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL15908433 0.89 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL474849 0.89 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL14589609 0.89 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL4845331 0.88 LMNA (0.64) ADORA2AADALMNANT5EHIF1A
SCHEMBL29848577 0.88 ADORA2A (0.78) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL28952403 0.88 ADORA2A (0.78) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL28484259 0.87 ADORA2A (1.00) ADORA2AADALMNANT5EADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476169-A4 METHODS OF INHIBITING ORTHOPOXVIRUS REPLICATION WITH NUCLEOSIDE COMPOUNDS MERCK & CO INC (US) 2009-06-03 EP claimed
US-7323453-B2 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK & CO., INC. (US) 2008-01-29 US claimed
US-20050164960-A1 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK SHARP & DOHME CORP. 2005-07-28 US claimed
EP-1476169-A1 METHODS OF INHIBITING ORTHOPOXVIRUS REPLICATION WITH NUCLEOSIDE COMPOUNDS Merck & Co., Inc. (US) 2004-11-17 EP claimed
WO-2003068244-A1 METHODS OF INHIBITING ORTHOPOXVIRUS REPLICATION WITH NUCLEOSIDE COMPOUNDS MERCK & CO., INC. (US) 2003-08-21 WO claimed
US-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 US disclosed
EP-1476169-A4 METHODS OF INHIBITING ORTHOPOXVIRUS REPLICATION WITH NUCLEOSIDE COMPOUNDS MERCK & CO INC (US) 2009-06-03 EP disclosed
US-7323453-B2 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK & CO., INC. (US) 2008-01-29 US disclosed
US-7323453-B2 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK & CO., INC. (US) 2008-01-29 US disclosed
US-7323453-B2 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK & CO., INC. (US) 2008-01-29 US disclosed
US-20050164960-A1 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK SHARP & DOHME CORP. 2005-07-28 US disclosed
EP-1476169-A1 METHODS OF INHIBITING ORTHOPOXVIRUS REPLICATION WITH NUCLEOSIDE COMPOUNDS Merck & Co., Inc. (US) 2004-11-17 EP disclosed
WO-2003068244-A1 METHODS OF INHIBITING ORTHOPOXVIRUS REPLICATION WITH NUCLEOSIDE COMPOUNDS MERCK & CO., INC. (US) 2003-08-21 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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ADORA2A 71/4885ADA 18/4885LMNA 982/4885
US-20050164960-A1 Methods of inhibiting orthopoxvirus replication with nucleoside compounds ITPA, PNP, NUDT1 ADORA2A 192/4885ADA 43/4885LMNA 3111/4885

“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.