SCHEMBL701820

SCHEMBL701820

COc1ccc(-c2[nH]nnc2-c2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HSP90AA1 P07900 1/20 0.48
PKM P14618 1/20 0.48
THRB P10828 1/20 0.46
CLK4 Q9HAZ1 1/20 0.45
DCTPP1 Q9H773 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDR P35968 1/20 0.43
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 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
SCHEMBL27981803 0.84 TGFBR1 (0.49) TGFBR1L3MBTL1NPC1RAB9APKM
SCHEMBL27901735 0.78 KDM4E (0.48) TGFBR1L3MBTL1NPC1RAB9AHSP90AA1
SCHEMBL410554 0.77 ALDH1A1 (0.51) TGFBR1NPC1MAPTHSD17B10ALDH1A1
SCHEMBL29496947 0.77 CYP19A1 (0.64) TGFBR1L3MBTL1NPC1RAB9AHSP90AA1
SCHEMBL913393 0.77 CYP19A1 (0.64) TGFBR1L3MBTL1NPC1RAB9AHSP90AA1
SCHEMBL3276928 0.77 MAPK14 (0.53) TGFBR1NPC1RAB9AGSK3BKDM4E
SCHEMBL412449 0.76 TGFBR1 (0.49) TGFBR1NPC1RAB9ATHRBKDR
SCHEMBL13458064 0.75 CYP19A1 (0.62) TGFBR1L3MBTL1NPC1RAB9AHSP90AA1
SCHEMBL703856 0.75 NPC1 (0.55) NPC1RAB9ADCTPP1MAPTKDR
SCHEMBL27630956 0.75 TEK (0.46) L3MBTL1NPC1RAB9AHSP90AA1PKM

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 TGFBR1 3868/4885L3MBTL1 3122/4885NPC1 172/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 TGFBR1 3609/4885L3MBTL1 3466/4885NPC1 187/4885

“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.