SCHEMBL8380340

SCHEMBL8380340

CCOc1nc2ccsc2nc1-c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.50
ADORA1 P30542 6/20 0.50
RPS6KB2 Q9UBS0 4/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 5/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL8381542 0.94 ADORA2A (0.50) ADORA2AADORA1RPS6KB2LMNAMAPK1
SCHEMBL15958601 0.84 ADORA2A (0.54) ADORA2AADORA1RPS6KB2LMNAKDM4E
SCHEMBL8380271 0.84 RPS6KB2 (0.49) ADORA2AADORA1RPS6KB2LMNAMAPK1
SCHEMBL13595005 0.82 RPS6KB2 (0.46) ADORA2AADORA1RPS6KB2LMNAMAPK1
SCHEMBL15958680 0.81 RAB9A (0.52) ADORA2AADORA1RPS6KB2LMNAMAPK1
SCHEMBL7917553 0.81 ADORA2A (0.44) ADORA2AADORA1RPS6KB2LMNANPSR1
SCHEMBL13595008 0.80 PGK1 (0.53) ADORA2AADORA1RPS6KB2LMNAKDM4E
SCHEMBL14164355 0.78 RPS6KB2 (0.59) ADORA2AADORA1RPS6KB2LMNAKDM4E
SCHEMBL8381274 0.78 ADORA2A (0.45) ADORA2AADORA1RPS6KB2LMNAMAPK1
SCHEMBL8380549 0.78 ADORA2A (0.42) ADORA2AADORA1RPS6KB2LMNAMAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 ADORA2A 3329/4885ADORA1 3382/4885RPS6KB2 4248/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC ADORA2A 4027/4885ADORA1 3873/4885RPS6KB2 4346/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC ADORA2A 4027/4885ADORA1 3873/4885RPS6KB2 4346/4885
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS DPP4, CTSC, PEPD ADORA2A 3683/4885ADORA1 3047/4885RPS6KB2 4618/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP ADORA2A 4080/4885ADORA1 3511/4885RPS6KB2 4656/4885

“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.