SCHEMBL731182

SCHEMBL731182

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.65
PRMT5 O14744 4/20 0.48
WDR77 Q9BQA1 4/20 0.48
ADORA3 P0DMS8 6/20 0.47
ADORA1 P30542 3/20 0.47
ADORA2B P29275 2/20 0.47
ADA P00813 1/20 0.45
DOT1L Q8TEK3 2/20 0.44
ADK P55263 1/20 0.44
NPC1 O15118 1/20 0.44
GALR3 O60755 1/20 0.44
S1PR4 O95977 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44

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
SCHEMBL15759356 1.00 ADORA2A (0.65) ADORA2APRMT5WDR77ADORA3ADORA1
SCHEMBL16174352 1.00 ADORA2A (0.65) ADORA2APRMT5WDR77ADORA3ADORA1
SCHEMBL12151837 1.00 ADORA2A (0.65) ADORA2APRMT5WDR77ADORA3ADORA1
SCHEMBL12758164 1.00 ADORA2A (0.65) ADORA2APRMT5WDR77ADORA3ADORA1
SCHEMBL12149498 1.00 ADORA2A (0.65) ADORA2APRMT5WDR77ADORA3ADORA1
SCHEMBL24837545 1.00 ADORA2A (0.65) ADORA2APRMT5WDR77ADORA3ADORA1
SCHEMBL18636317 1.00 ADORA2A (0.65) ADORA2APRMT5WDR77ADORA3ADORA1
SCHEMBL13770320 0.91 ADORA2A (0.53) ADORA2APRMT5WDR77ADORA3ADK
SCHEMBL14010191 0.89 ADORA2A (0.51) ADORA2APRMT5WDR77DOT1LADK
SCHEMBL14036258 0.89 ADORA2A (0.51) ADORA2APRMT5WDR77DOT1LADK

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 175 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-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-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase MERCK SHARP & DOHME CORP. 2007-11-29 US claimed
EP-1355916-B1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO INC (US) 2007-01-10 EP claimed
US-7125855-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2006-10-24 US claimed
US-20050272676-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase BHAT BALKRISHEN 2005-12-08 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
US-6777395-B2 VIRICIDES MERCK & CO., INC. 2004-08-17 US claimed
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase BHAT BALKRISHEN (US) 2004-04-15 US claimed
US-20040067901-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2004-04-08 US claimed
WO-2003068244-A1 METHODS OF INHIBITING ORTHOPOXVIRUS REPLICATION WITH NUCLEOSIDE COMPOUNDS MERCK & CO., INC. (US) 2003-08-21 WO claimed
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2002-10-10 US claimed
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 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-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 (10 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ADORA2A 4584/4885PRMT5 2225/4885WDR77 2310/4885
US-20040067901-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885PRMT5 436/4885WDR77 1478/4885
US-20040014108-A1 Oligonucleotides having modified nucleoside units RNASEH1, RNASE1, RNASEL ADORA2A 1134/4885PRMT5 2966/4885WDR77 1841/4885
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885PRMT5 436/4885WDR77 1478/4885
US-20050272676-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885PRMT5 436/4885WDR77 1478/4885
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885PRMT5 436/4885WDR77 1478/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 ADORA2A 4584/4885PRMT5 2225/4885WDR77 2310/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ADORA2A 4584/4885PRMT5 2225/4885WDR77 2310/4885
US-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885PRMT5 436/4885WDR77 1478/4885
US-20050164960-A1 Methods of inhibiting orthopoxvirus replication with nucleoside compounds ITPA, PNP, NUDT1 ADORA2A 192/4885PRMT5 1470/4885WDR77 1575/4885

“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.