SCHEMBL730785

SCHEMBL730785

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(N)nc(F)nc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.51
▸ ADA P00813 1/20 0.49
▸ PDE4D Q08499 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SLC29A1 Q99808 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ NT5E P21589 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ADORA3 P0DMS8 7/20 0.41
▸ ADORA1 P30542 4/20 0.41
▸ ADORA2B P29275 3/20 0.41
▸ ALOX15 P16050 1/20 0.39
▸ PRMT5 O14744 3/20 0.39
▸ WDR77 Q9BQA1 3/20 0.39

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
SCHEMBL12447020 1.00 ADORA2A (0.51) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL12150880 0.89 ADORA2A (0.53) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL12154572 0.89 ADORA2A (0.53) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL12031227 0.89 ADORA2A (0.53) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL474846 0.89 ADORA2A (0.53) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL10208056 0.88 ADORA2A (0.52) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL13650037 0.85 ADORA2A (0.49) ADORA2AADAPDE4DPDE3ASLC29A1
Beta-2'-C-Methyl-7-Deaza-Adenosine SCHEMBL14628545 0.82 ADORA2A (0.67) ADORA2AADAADORA3ADORA1ADORA2B
Beta-2'-C-Methyl-7-Deaza-Adenosine SCHEMBL733423 0.82 ADORA2A (0.67) ADORA2AADAADORA3ADORA1ADORA2B
Beta-2'-C-Methyl-7-Deaza-Adenosine SCHEMBL6422519 0.82 ADORA2A (0.67) ADORA2AADAADORA3ADORA1ADORA2B

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 125 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
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-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
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
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
EP-2953461-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2020-04-22 — — EP disclosed
EP-2953462-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2020-04-08 — — EP 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-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 4584/4885ADA 3528/4885PDE4D 4030/4885
US-20040067901-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885PDE4D 1080/4885
US-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 395/4885ADA 110/4885PDE4D 996/4885
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885PDE4D 1080/4885
US-20050272676-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885PDE4D 1080/4885
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885PDE4D 1080/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 ADORA2A 4584/4885ADA 3528/4885PDE4D 4030/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ADORA2A 4584/4885ADA 3528/4885PDE4D 4030/4885
US-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885PDE4D 1080/4885
US-20050164960-A1 Methods of inhibiting orthopoxvirus replication with nucleoside compounds ITPA, PNP, NUDT1 ADORA2A 192/4885ADA 43/4885PDE4D 931/4885

“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.

Send feedback