SCHEMBL8380271

SCHEMBL8380271

CCOc1nc2ccccc2nc1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 4/20 0.49
ADORA2A P29274 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
ADORA1 P30542 1/20 0.47
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 3/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK10 P53779 1/20 0.46
LMNA P02545 4/20 0.44
GLA P06280 2/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 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
SCHEMBL13595005 0.88 RPS6KB2 (0.46) RPS6KB2ADORA2AADORA1KDM4EALDH1A1
SCHEMBL15958680 0.87 RAB9A (0.52) RPS6KB2ADORA2AADORA1KDM4EALDH1A1
SCHEMBL13595008 0.86 PGK1 (0.53) RPS6KB2ADORA2AADORA1KDM4EALDH1A1
SCHEMBL8381406 0.85 RPS6KB2 (0.43) RPS6KB2ADORA2AADORA1KDM4EALDH1A1
SCHEMBL8381274 0.85 ADORA2A (0.45) RPS6KB2ADORA2AHRH4ADORA1KDM4E
SCHEMBL8381174 0.85 RPS6KB2 (0.72) RPS6KB2ADORA2AADORA1KDM4EALDH1A1
SCHEMBL13595011 0.84 RPS6KB2 (0.52) RPS6KB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13595006 0.84 RPS6KB2 (0.52) RPS6KB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8380340 0.84 ADORA2A (0.50) RPS6KB2ADORA2AHRH4ADORA1KDM4E
SCHEMBL8381542 0.84 ADORA2A (0.50) RPS6KB2ADORA2AADORA1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8809264-B2 Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-8377872-B2 Non-structural protein-3 (NS-3) protease inhibitors; viricides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-7910587-B2 Quinoxalinyl dipeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-03-22 US disclosed
US-7635683-B2 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7605126-B2 Acylaminoheteroaryl hepatitis C virus protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-20 US disclosed
US-20090202486-A1 DIFLUORINATED TRIPEPTIDES AS HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2009-05-14 US disclosed
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20080267916-A1 CYCLIC P3 TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20080039470-A1 Acylaminoheteroaryl hepatitis C virus protease inhibitors ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 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 (12 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-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 RPS6KB2 4560/4885ADORA2A 2525/4885HRH4 1530/4885
US-20090202486-A1 DIFLUORINATED TRIPEPTIDES AS HCV SERINE PROTEASE INHIBITORS CTSC, DPP4, DNPEP RPS6KB2 4647/4885ADORA2A 4379/4885HRH4 2769/4885
US-20080039470-A1 Acylaminoheteroaryl hepatitis C virus protease inhibitors ATG4A, CYP4A22, AADAC RPS6KB2 4417/4885ADORA2A 1794/4885HRH4 1341/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 RPS6KB2 4248/4885ADORA2A 3329/4885HRH4 2192/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC RPS6KB2 4346/4885ADORA2A 4027/4885HRH4 2290/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC RPS6KB2 4346/4885ADORA2A 4027/4885HRH4 2290/4885
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS DPP4, CTSC, PEPD RPS6KB2 4618/4885ADORA2A 3683/4885HRH4 1627/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN RPS6KB2 4186/4885ADORA2A 3710/4885HRH4 1908/4885
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR HPN, PRSS1, SERPINB1 RPS6KB2 4541/4885ADORA2A 3277/4885HRH4 331/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP RPS6KB2 4656/4885ADORA2A 4080/4885HRH4 1840/4885
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS CTSC, PRSS1, SPINT2 RPS6KB2 4745/4885ADORA2A 4284/4885HRH4 2669/4885
US-20080267916-A1 CYCLIC P3 TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, CTSC, PREP RPS6KB2 4262/4885ADORA2A 3877/4885HRH4 2555/4885

“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.