SCHEMBL510728

SCHEMBL510728

CCOc1nc(N)nc(-c2ccccc2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPK10 P53779 1/20 0.45
SQOR Q9Y6N5 1/20 0.45
ADORA2A P29274 12/20 0.44
ADORA1 P30542 10/20 0.43
NUDT1 P36639 1/20 0.42
XDH P47989 1/20 0.41
ADORA2B P29275 2/20 0.41
TTK P33981 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13377678 0.82 ALDH1A1 (0.49) NPC1ALDH1A1MAPK1RAB9ALMNA
SCHEMBL29566545 0.80 ADORA2A (0.64) ALDH1A1LMNAADORA2AADORA1NUDT1
SCHEMBL24310426 0.80 ADORA2A (0.64) ALDH1A1LMNAADORA2AADORA1NUDT1
SCHEMBL13377891 0.79 ALDH1A1 (0.47) NPC1ALDH1A1MAPK1RAB9ALMNA
SCHEMBL6440983 0.78 SQOR (0.73) SQORADORA2AADORA1ADORA2B
SCHEMBL7147047 0.77 ADORA2A (0.47) NPC1ALDH1A1RAB9AGAAADORA2A
SCHEMBL4454812 0.77 PIK3CG (0.59) NPC1ALDH1A1MAPK1RAB9ALMNA
SCHEMBL509969 0.75 XDH (0.37) NPC1ALDH1A1RAB9AADORA2AADORA1
SCHEMBL10117907 0.74 ADORA2A (0.50) ALDH1A1ADORA2AADORA1NUDT1XDH
SCHEMBL16828163 0.73 LTA4H (0.50) NPC1ALDH1A1MAPK1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211863-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211863-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211863-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-8034802-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-8034802-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-8034802-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-7858637-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus AVERETT DEVRON R 2010-12-28 US disclosed
EP-1667694-B1 TLR7 LIGANDS FOR THE TREATMENT OF HEPATITIS C ANADYS PHARMACEUTICALS INC (US) 2010-04-28 EP disclosed
US-20090298863-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298863-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298863-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-7576068-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2009-08-18 US disclosed
US-7576068-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2009-08-18 US disclosed
US-7576068-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2009-08-18 US disclosed
EP-1667694-A2 TLR7 LIGANDS FOR THE TREATMENT OF HEPATITIS C Anadys Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
WO-2005025583-A2 TLR7 LIGANDS FOR THE TREATMENT OF HEPATITIS C ANADYS PHARMACEUTICALS, INC. (US) 2005-03-24 WO disclosed
US-20050054590-A1 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. 2005-03-10 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 (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-20090298863-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS TLR7, TLR3, TLR9 NPC1 468/4885ALDH1A1 1015/4885MAPK1 1585/4885
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS TLR7, TLR3, TLR9 NPC1 468/4885ALDH1A1 1015/4885MAPK1 1585/4885
US-20050054590-A1 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus TLR7, TLR3, TLR9 NPC1 468/4885ALDH1A1 1015/4885MAPK1 1585/4885

“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.