SCHEMBL701773

SCHEMBL701773

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.49
GAA P10253 1/20 0.47
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
ABL1 P00519 1/20 0.45
ABCB1 P08183 1/20 0.45
BCR P11274 1/20 0.45
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NOTUM Q6P988 2/20 0.43

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
SCHEMBL703671 0.87 ABL1 (0.44) MAPK13MAPK12MAPK11MAPK14ABL1
SCHEMBL706436 0.87 MAPT (0.46) XDHGAAABL1ABCB1BCR
SCHEMBL31541989 0.84 NPC1 (0.43) GAAABL1ABCB1BCRMAPT
SCHEMBL703856 0.80 NPC1 (0.55) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL411907 0.79 GSK3A (0.43) XDHDYRK1AMAPTLMNARAB9A
SCHEMBL27630953 0.79 DYRK1B (0.45) XDHMAPTLMNARAB9ANPSR1
SCHEMBL27630900 0.79 GCGR (0.46) GAAMAPK14MAPTLMNARAB9A
SCHEMBL3276928 0.79 MAPK14 (0.53) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL411698 0.78 TUBB4A (0.56) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL411388 0.77 TUBB4A (0.54) MAPTLMNASMN1; SMN2KMT2AKDM4E

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 9 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
CN-1771050-A macrocyclic inhibitors of hepatitis c serine protease ENANTA PHARM INC (US) 2006-05-10 CN 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 XDH 1423/4885GAA 694/4885MAPK13 2498/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 XDH 1371/4885GAA 699/4885MAPK13 2327/4885

“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.