SCHEMBL7907910

SCHEMBL7907910

CC(C)Oc1nc2c(ccn2C)nc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 0.41
ALDH1A1 P00352 13/20 0.41
CASP1 P29466 12/20 0.41
CASP7 P55210 12/20 0.41
HSD17B10 Q99714 11/20 0.41
USP2 O75604 10/20 0.41
CYP3A4 P08684 10/20 0.41
HIF1A Q16665 10/20 0.41
CYP2C9 P11712 9/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
CLK4 Q9HAZ1 3/20 0.41
RPS6KB2 Q9UBS0 4/20 0.41
GLA P06280 3/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 5/20 0.39
CYP2C19 P33261 5/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL8226859 0.86 RPS6KB2 (0.50) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL8380552 0.82 CYP1A2 (0.44) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL7918999 0.81 CYP1A2 (0.43) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL15958616 0.81 RPS6KB2 (0.47) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL7907358 0.80 RPS6KB2 (0.49) ALDH1A1CASP1CASP7HSD17B10CYP2C9
SCHEMBL7907985 0.79 RPS6KB2 (0.38) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL13594795 0.78 RPS6KB2 (0.46) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL7907933 0.78 ALDH1A1 (0.39) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL8380330 0.78 CYP1A2 (0.41) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL7918132 0.76 RPS6KB2 (0.44) CYP1A2ALDH1A1CASP1CASP7HSD17B10

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 CYP1A2 437/4885ALDH1A1 1236/4885CASP1 147/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC CYP1A2 467/4885ALDH1A1 1344/4885CASP1 171/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC CYP1A2 467/4885ALDH1A1 1344/4885CASP1 171/4885
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS DPP4, CTSC, PEPD CYP1A2 685/4885ALDH1A1 990/4885CASP1 341/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP CYP1A2 628/4885ALDH1A1 1229/4885CASP1 301/4885

“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.