SCHEMBL13595019

SCHEMBL13595019

CCOc1nc2ccccc2nc1/C=C/c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.46
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
FLT3 P36888 3/20 0.39
GRM4 Q14833 1/20 0.39
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP1B1 Q16678 2/20 0.38
EGFR P00533 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL12676965 1.00 HRH4 (0.46) HRH4ALDH1A1GAAKDM4EKMT2A
SCHEMBL14619411 0.86 CYP1A1 (0.45) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL15958614 0.85 CYP1A1 (0.47) HRH4ALDH1A1KDM4EKMT2AMEN1
SCHEMBL13595055 0.85 CYP1A1 (0.47) HRH4ALDH1A1KDM4EKMT2AMEN1
SCHEMBL13594794 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1FLT3
SCHEMBL12669902 0.81 FLT3 (0.39) ALDH1A1KDM4EKMT2AMEN1FLT3
SCHEMBL12669926 0.81 FLT3 (0.39) ALDH1A1KDM4EKMT2AMEN1FLT3
SCHEMBL10373957 0.81 GRM4 (0.46) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL13595010 0.80 HRH4 (0.42) HRH4ALDH1A1GAAKDM4EKMT2A
SCHEMBL12677027 0.79 RAB9A (0.50) HRH4ALDH1A1GAAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 2192/4885ALDH1A1 1236/4885GAA 637/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC HRH4 2290/4885ALDH1A1 1344/4885GAA 411/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC HRH4 2290/4885ALDH1A1 1344/4885GAA 411/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP HRH4 1840/4885ALDH1A1 1229/4885GAA 500/4885

“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.