SCHEMBL8380443

SCHEMBL8380443

CCOc1nc2ccccc2nc1Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
LMNA P02545 2/20 0.59
HSD17B10 Q99714 1/20 0.59
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 8/20 0.49
NPSR1 Q6W5P4 3/20 0.49
POLB P06746 2/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
RAD52 P43351 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC2A1 P11166 1/20 0.48
HRH4 Q9H3N8 1/20 0.46
GAA P10253 2/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL13595051 0.87 MAPT (0.63) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL13595045 0.83 ABCG2 (0.56) KDM4ELMNAKMT2AMEN1MAPT
SCHEMBL8224937 0.81 MAPT (0.55) KDM4ELMNAKMT2AMEN1MAPT
SCHEMBL8380539 0.80 GRM5 (0.58) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL27458779 0.78 HRH4 (0.59) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL12676871 0.78 LMNA (0.57) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL13595026 0.78 MAPT (0.50) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL12669852 0.77 MEN1 (0.45) LMNAHSD17B10KMT2AMEN1MAPT
SCHEMBL7917910 0.77 NPSR1 (0.45) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL13595038 0.77 NPC1 (0.50) KDM4ELMNAHSD17B10KMT2AMEN1

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 11 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-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 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-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-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 (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 KDM4E 1405/4885LMNA 2608/4885HSD17B10 557/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC KDM4E 691/4885LMNA 2228/4885HSD17B10 981/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC KDM4E 691/4885LMNA 2228/4885HSD17B10 981/4885
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS DPP4, CTSC, PEPD KDM4E 831/4885LMNA 3010/4885HSD17B10 1147/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP KDM4E 970/4885LMNA 2587/4885HSD17B10 1173/4885

“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.