SCHEMBL509585

SCHEMBL509585

N=c1cc2[nH]cncc-2cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
IDO1 P14902 9/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
ASIC3 Q9UHC3 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL27258266 0.69 IDO1 (0.60) HPGDSIDO1CYP3A4CYP2D6CYP2E1
SCHEMBL7194641 0.64 IDO1 (0.59) HPGDSIDO1CYP3A4CYP2D6CYP2E1
SCHEMBL725527 0.64 CYP3A4 (0.48) IDO1CYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL2358975 0.62 HPGDS (1.00) HPGDSIDO1CYP3A4CYP2D6CYP2E1
SCHEMBL2593988 0.62 IDO1 (0.42) IDO1CYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL191327 0.61
SCHEMBL27880327 0.60 IDO1 (0.67) HPGDSIDO1CYP3A4CYP2D6CYP2E1
SCHEMBL17800997 0.60 IDO1 (0.75) HPGDSIDO1CYP3A4CYP2D6CYP2E1
SCHEMBL28750838 0.58 ASIC3 (0.53) HPGDSIDO1CYP3A4CYP2D6CYP2E1
SCHEMBL26265591 0.58 CYP11B1 (0.85) HPGDSIDO1CYP3A4CYP2D6CYP2E1

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 16 patents. 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-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-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
US-20100256169-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2010-10-07 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-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-20080070852-A1 3-Beta-D-Ribofuranosylthiazolo[ 4,5-D] Pyridimine Nucleosides and Uses Thereof ANADYS PHARMACEUTICALS, INC. 2008-03-20 US disclosed
EP-1758916-A1 3-BETA-D-RIBOFURANOSYLTHIAZOLO[4,5-d]PYRIDIMINE NUCLEOSIDES AND USES THEREOF Anadys Pharmaceuticals, Inc. (US) 2007-03-07 EP disclosed
EP-1667694-A2 TLR7 LIGANDS FOR THE TREATMENT OF HEPATITIS C Anadys Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
WO-2005121162-A1 3-β-D-RIBOFURANOSYLTHIAZOLO[4,5-d]PYRIDIMINE NUCLEOSIDES AND USES THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2005-12-22 WO disclosed
US-20050182001-A1 3-beta-D-ribofuranosylthiazolo[4,5-d]pyridimine nucleosides and uses thereof ANADYS PHARMACEUTICALS, INC. (US) 2005-08-18 US 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
US-20030199461-A1 3-beta-D-ribofuranosylthiazolo[4-5-d]pyridimine nucleosides and uses thereof ANADYS PHARMACEUTICALS, INC. 2003-10-23 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 (7 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 HPGDS 2157/4885IDO1 1947/4885CYP3A4 390/4885
US-20030199461-A1 3-beta-D-ribofuranosylthiazolo[4-5-d]pyridimine nucleosides and uses thereof DPYD, TYMP, ENTPD5 HPGDS 363/4885IDO1 88/4885CYP3A4 2884/4885
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS TLR7, TLR3, TLR9 HPGDS 2157/4885IDO1 1947/4885CYP3A4 390/4885
US-20080070852-A1 3-Beta-D-Ribofuranosylthiazolo[ 4,5-D] Pyridimine Nucleosides and Uses Thereof ADORA2B, DPYD, ADAR HPGDS 844/4885IDO1 331/4885CYP3A4 2412/4885
US-20100256169-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS TLR7, TLR3, TLR9 HPGDS 2157/4885IDO1 1947/4885CYP3A4 390/4885
US-20050054590-A1 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus TLR7, TLR3, TLR9 HPGDS 2157/4885IDO1 1947/4885CYP3A4 390/4885
US-20050182001-A1 3-beta-D-ribofuranosylthiazolo[4,5-d]pyridimine nucleosides and uses thereof TYMP, DPYD, ENTPD5 HPGDS 317/4885IDO1 165/4885CYP3A4 3090/4885

“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.