SCHEMBL7907933

SCHEMBL7907933

Cn1ccc2nc(OC(C)(C)C)c(-c3cccs3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
CYP1A2 P05177 6/20 0.39
CASP1 P29466 6/20 0.39
CASP7 P55210 6/20 0.39
HSD17B10 Q99714 6/20 0.39
CYP2C9 P11712 5/20 0.39
USP2 O75604 5/20 0.39
CYP3A4 P08684 5/20 0.39
HIF1A Q16665 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CLK4 Q9HAZ1 3/20 0.39
RPS6KB2 Q9UBS0 4/20 0.38
GAA P10253 3/20 0.37
GLA P06280 2/20 0.37
MAPK1 P28482 3/20 0.36
TSHR P16473 3/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 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
SCHEMBL15958616 0.86 RPS6KB2 (0.47) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL8380330 0.82 CYP1A2 (0.41) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL8226859 0.81 RPS6KB2 (0.50) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL12669815 0.80 RPS6KB2 (0.49) ALDH1A1CASP1CASP7HSD17B10RPS6KB2
SCHEMBL7915265 0.79 ALDH1A1 (0.36) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL8224744 0.78 RPS6KB2 (0.45) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL7907910 0.78 CYP1A2 (0.41) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL8380552 0.78 CYP1A2 (0.44) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL15958293 0.76 RPS6KB2 (0.51) ALDH1A1CASP1CASP7HSD17B10MEN1
SCHEMBL7917553 0.76 ADORA2A (0.44) ALDH1A1CASP1CASP7HSD17B10MEN1

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