Sugi Predict

Sugi Predict / Compounds / SCHEMBL1738696

SCHEMBL1738696

SCHEMBL1738696

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(C#N)c2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.61
▸ ADK P55263 2/20 0.56
▸ DOT1L Q8TEK3 3/20 0.52
▸ PRMT5 O14744 1/20 0.46
▸ PRMT3 O60678 1/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ EHMT2 Q96KQ7 1/20 0.46
▸ PAX8 Q06710 2/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ ADORA3 P0DMS8 5/20 0.45
▸ ADORA1 P30542 3/20 0.45
▸ ADORA2B P29275 2/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ HSPA8 P11142 1/20 0.43
▸ ADA P00813 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ S1PR4 O95977 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL12447395 1.00 ADORA2A (0.61) ADORA2AADKDOT1LPRMT5PRMT3
SCHEMBL2786772 1.00 ADORA2A (0.61) ADORA2AADKDOT1LPRMT5PRMT3
SCHEMBL2786193 1.00 ADORA2A (0.61) ADORA2AADKDOT1LPRMT5PRMT3
SCHEMBL2786188 1.00 ADORA2A (0.61) ADORA2AADKDOT1LPRMT5PRMT3
SCHEMBL14598205 0.90 ADK (0.65) ADORA2AADKDOT1LPRMT5PAX8
SCHEMBL14523017 0.90 ADK (0.65) ADORA2AADKDOT1LPRMT5PAX8
SCHEMBL4429311 0.90 ADK (0.65) ADORA2AADKDOT1LPRMT5PAX8
SCHEMBL14598204 0.90 ADK (0.65) ADORA2AADKDOT1LPRMT5PAX8
SCHEMBL14598185 0.90 ADK (0.65) ADORA2AADKDOT1LPRMT5PAX8
SCHEMBL3237281 0.90 ADK (0.65) ADORA2AADKDOT1LPRMT5PAX8

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476169-B1 Inhibiting orthopoxvirus replication with nucleoside compounds MERCK SHARP & DOHME (US) 2013-03-20 — — EP claimed
EP-2360166-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-08-24 — — 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
US-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase MERCK SHARP & DOHME LLC 2004-06-10 — — US claimed
US-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — US disclosed
US-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — US disclosed
US-20140309412-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE IONIS PHARMACEUTICALS, INC. 2014-10-16 — — US disclosed
US-20140309412-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE IONIS PHARMACEUTICALS, INC. 2014-10-16 — — US disclosed
US-8481712-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME CORP. (US) 2013-07-09 — — US disclosed
US-8481712-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME CORP. (US) 2013-07-09 — — US disclosed
EP-1476169-B1 Inhibiting orthopoxvirus replication with nucleoside compounds MERCK SHARP & DOHME (US) 2013-03-20 — — EP disclosed
US-6777395-B2 VIRICIDES MERCK & CO., INC. 2004-08-17 — — US disclosed
US-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase MERCK SHARP & DOHME LLC 2004-06-10 — — US disclosed
CN-1498221-A Nucleoside derivatives as inhibitors of RNA-dependent PNA viral polymerase — 2004-05-19 — — CN disclosed
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase BHAT BALKRISHEN (US) 2004-04-15 — — US disclosed
US-20040067901-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2004-04-08 — — US disclosed
US-20040014957-A1 Oligonucleotides having modified nucleoside units ISIS PHARMACEUTICALS, INC. 2004-01-22 — — US disclosed
US-20040014108-A1 Oligonucleotides having modified nucleoside units ISIS PHARMACEUTICALS, INC. 2004-01-22 — — US disclosed
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2002-10-10 — — 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 (9 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-20040067901-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADK 239/4885DOT1L 1622/4885
US-20040014108-A1 Oligonucleotides having modified nucleoside units RNASEH1, RNASE1, RNASEL ADORA2A 1134/4885ADK 454/4885DOT1L 3549/4885
US-20040014957-A1 Oligonucleotides having modified nucleoside units RNASE1, RNASEH1, RNASEL ADORA2A 813/4885ADK 325/4885DOT1L 3215/4885
US-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 395/4885ADK 215/4885DOT1L 1475/4885
US-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE POLRMT, DUT, RNASE1 ADORA2A 1654/4885ADK 592/4885DOT1L 1909/4885
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADK 239/4885DOT1L 1622/4885
US-20140309412-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADK 239/4885DOT1L 1622/4885
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADK 239/4885DOT1L 1622/4885
US-20050164960-A1 Methods of inhibiting orthopoxvirus replication with nucleoside compounds ITPA, PNP, NUDT1 ADORA2A 192/4885ADK 137/4885DOT1L 2415/4885

“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.