SCHEMBL703671

SCHEMBL703671

COc1ccc(-c2[nH]nnc2-c2cccc(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
MAPT P10636 3/20 0.44
GSK3B P49841 2/20 0.44
TP53 P04637 2/20 0.44
KMT2A Q03164 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
GSK3A P49840 1/20 0.43
IDO1 P14902 1/20 0.43
NOTUM Q6P988 1/20 0.42
RELA Q04206 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL701773 0.87 XDH (0.49) ABL1MAPTKMT2AMAPK13MAPK12
SCHEMBL27630900 0.84 GCGR (0.46) MAPTGSK3BTP53KMT2AMAPK14
SCHEMBL28270660 0.84 IDO1 (0.58) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL706436 0.84 MAPT (0.46) ABL1MAPTTP53KMT2AIDO1
SCHEMBL31541989 0.81 NPC1 (0.43) ABL1MAPTKMT2ARELAMEN1
SCHEMBL28327766 0.78 FYN (0.51) MAPK13MAPK12MAPK11MAPK14IDO1
SCHEMBL6314185 0.77 KMT2A (0.46) ABL1MAPTGSK3BTP53KMT2A
SCHEMBL703856 0.77 NPC1 (0.55) MAPTGSK3BKMT2AMAPK13MAPK12
SCHEMBL411907 0.76 GSK3A (0.43) MAPTGSK3BTP53KMT2AGSK3A
SCHEMBL8480988 0.76 ABL1 (0.63) ABL1GSK3BKMT2AGSK3ARELA

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-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO 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 (2 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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 ABL1 984/4885EGFR 2905/4885MAPT 4214/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 ABL1 986/4885EGFR 2778/4885MAPT 4280/4885

“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.