SCHEMBL8380539

SCHEMBL8380539

CCOc1nc2ccccc2nc1Nc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.58
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HRH4 Q9H3N8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK10 P53779 1/20 0.42
GFER P55789 1/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL8224536 0.85 GRM5 (0.47) GRM5MEN1KMT2AALDH1A1NPC1
SCHEMBL7918433 0.81 GRM5 (0.45) GRM5KDM4ELMNAMEN1KMT2A
SCHEMBL8380443 0.80 KDM4E (0.59) KDM4ELMNAHSD17B10MEN1KMT2A
SCHEMBL12677102 0.76 KDM4E (0.52) KDM4ELMNAHSD17B10MEN1KMT2A
SCHEMBL27458779 0.75 HRH4 (0.59) KDM4ELMNAHSD17B10MEN1KMT2A
SCHEMBL13595051 0.74 MAPT (0.63) KDM4ELMNAHSD17B10MEN1KMT2A
SCHEMBL13595026 0.74 MAPT (0.50) KDM4ELMNAHSD17B10MEN1KMT2A
SCHEMBL5582608 0.74 GRM5 (1.00) GRM5LMNAMEN1KMT2AALDH1A1
SCHEMBL13595038 0.73 NPC1 (0.50) KDM4ELMNAHSD17B10MEN1KMT2A
SCHEMBL15566160 0.73 MEN1 (0.48) GRM5KDM4ELMNAMEN1KMT2A

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-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 GRM5 4557/4885KDM4E 1405/4885LMNA 2608/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC GRM5 4518/4885KDM4E 691/4885LMNA 2228/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC GRM5 4518/4885KDM4E 691/4885LMNA 2228/4885
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS DPP4, CTSC, PEPD GRM5 4462/4885KDM4E 831/4885LMNA 3010/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP GRM5 4529/4885KDM4E 970/4885LMNA 2587/4885

“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.