SCHEMBL13595010

SCHEMBL13595010

CCOc1nc2ccccc2nc1/C=C/c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
RIOK2 Q9BVS4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
EGFR P00533 1/20 0.34
NR1H2 P55055 1/20 0.34
PADI4 Q9UM07 1/20 0.34

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
SCHEMBL8225199 0.86 RIOK2 (0.42) HRH4RIOK2ALDH1A1GAAKMT2A
SCHEMBL12669892 0.83 RIOK2 (0.40) RIOK2RAB9ANR1H2
SCHEMBL13594780 0.83 RIOK2 (0.40) HRH4RIOK2KMT2AMEN1KDM4E
SCHEMBL12677027 0.81 RAB9A (0.50) HRH4ALDH1A1GAAKMT2AMEN1
SCHEMBL12676965 0.80 HRH4 (0.46) HRH4ALDH1A1GAAKMT2AMEN1
SCHEMBL13595019 0.80 HRH4 (0.46) HRH4ALDH1A1GAAKMT2AMEN1
SCHEMBL12676972 0.77 EGFR (0.53) HRH4ALDH1A1GAAKMT2AMEN1
SCHEMBL12409504 0.77 ALDH1A1 (0.48) HRH4ALDH1A1GAAKMT2AMEN1
SCHEMBL13595001 0.76 HRH4 (0.42) HRH4ALDH1A1GAAKMT2AMEN1
SCHEMBL13595004 0.75 CYP11B1 (0.49) HRH4ALDH1A1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809264-B2 Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-19 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-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 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-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 (4 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 HRH4 2192/4885RIOK2 2726/4885ALDH1A1 1236/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC HRH4 2290/4885RIOK2 3266/4885ALDH1A1 1344/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC HRH4 2290/4885RIOK2 3266/4885ALDH1A1 1344/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP HRH4 1840/4885RIOK2 3285/4885ALDH1A1 1229/4885

“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.