SCHEMBL7917795

SCHEMBL7917795

CC(C)Oc1nc2ncncc2nc1-c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 12/20 0.48
CASP1 P29466 11/20 0.48
CASP7 P55210 11/20 0.48
ALDH1A1 P00352 10/20 0.48
CYP3A4 P08684 10/20 0.48
CYP2C9 P11712 10/20 0.48
USP2 O75604 10/20 0.48
HSD17B10 Q99714 8/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
CLK4 Q9HAZ1 5/20 0.48
HIF1A Q16665 4/20 0.48
CYP2C19 P33261 7/20 0.45
MAPK1 P28482 3/20 0.45
GLA P06280 2/20 0.45
TSHR P16473 4/20 0.43
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.41
RPS6KB2 Q9UBS0 6/20 0.40
CYP2D6 P10635 3/20 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
SCHEMBL7919609 0.95 CYP1A2 (0.46) CYP1A2CASP1CASP7ALDH1A1CYP3A4
SCHEMBL8218853 0.86 CYP1A2 (0.52) CYP1A2CASP1CASP7ALDH1A1CYP3A4
SCHEMBL8381234 0.84 CYP1A2 (0.49) CYP1A2CASP1CASP7ALDH1A1CYP3A4
SCHEMBL7918254 0.82 RPS6KB2 (0.42) CYP1A2CASP1CASP7ALDH1A1CYP3A4
SCHEMBL6236262 0.81 CYP1A2 (0.56) CYP1A2CASP1CASP7ALDH1A1CYP3A4
SCHEMBL8225185 0.81 CYP1A2 (0.49) CYP1A2CASP1CASP7ALDH1A1CYP3A4
SCHEMBL8380558 0.79 CYP1A2 (0.46) CYP1A2CASP1CASP7ALDH1A1CYP3A4
SCHEMBL7907358 0.79 RPS6KB2 (0.49) CASP1CASP7ALDH1A1CYP2C9HSD17B10
SCHEMBL7908001 0.78 RPS6KB2 (0.42) CASP1CASP7ALDH1A1HSD17B10GLA
SCHEMBL13594795 0.77 RPS6KB2 (0.46) CYP1A2CASP1CASP7ALDH1A1CYP3A4

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 437/4885CASP1 147/4885CASP7 480/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC CYP1A2 467/4885CASP1 171/4885CASP7 702/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC CYP1A2 467/4885CASP1 171/4885CASP7 702/4885
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS DPP4, CTSC, PEPD CYP1A2 685/4885CASP1 341/4885CASP7 1352/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP CYP1A2 628/4885CASP1 301/4885CASP7 1272/4885

“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.