SCHEMBL509969

SCHEMBL509969

Cc1oc(=O)oc1COc1nc(N)nc(-c2ccccc2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.37
TLR8 Q9NR97 3/20 0.36
ADORA2A P29274 11/20 0.35
ADORA1 P30542 9/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
MGMT P16455 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GABRA5 P31644 1/20 0.34
MPO P05164 1/20 0.33

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
SCHEMBL10117721 0.80 XDH (0.39) XDHTLR8ADORA2AADORA1KDM4E
SCHEMBL10118055 0.76 XDH (0.36) XDHADORA2AADORA1CDK1CCNB1
SCHEMBL510728 0.75 NPC1 (0.49) XDHADORA2AADORA1NPC1RAB9A
SCHEMBL27654784 0.72 ADORA1 (0.36) XDHADORA2AADORA1CDK1CCNB1
SCHEMBL24310426 0.68 ADORA2A (0.64) XDHADORA2AADORA1ALDH1A1
SCHEMBL29566545 0.68 ADORA2A (0.64) XDHADORA2AADORA1ALDH1A1
SCHEMBL10117907 0.66 ADORA2A (0.50) XDHADORA2AADORA1ALDH1A1
SCHEMBL7144843 0.64 ADORA2A (0.49) ADORA2AADORA1CDK1CCNB1MGMT
SCHEMBL10567530 0.63 ADORA2A (0.53) XDHADORA2AADORA1KDM4EALDH1A1
SCHEMBL29541280 0.63 ADORA2A (0.53) XDHADORA2AADORA1KDM4EALDH1A1

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 XDH 957/4885TLR8 6/4885ADORA2A 166/4885
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS TLR7, TLR3, TLR9 XDH 957/4885TLR8 6/4885ADORA2A 166/4885
US-20050054590-A1 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus TLR7, TLR3, TLR9 XDH 957/4885TLR8 6/4885ADORA2A 166/4885

“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.