SCHEMBL702859

SCHEMBL702859

COc1ccc(-c2[nH]nnc2-c2ccsc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
KDR P35968 3/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
CYP2A6 P11509 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
GAA P10253 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL28326490 0.84 ADK (0.40) IDO1KMT2ACYP2A6GPBAR1GAA
SCHEMBL3276928 0.81 MAPK14 (0.53) KMT2ANPC1MEN1RAB9ASCN4A
SCHEMBL28878141 0.80 CYP2A6 (0.50) IDO1PDGFRBPDGFRANPC1KDR
SCHEMBL27630953 0.78 DYRK1B (0.45) KMT2AMEN1MAPTXDHRAB9A
SCHEMBL27630900 0.78 GCGR (0.46) KMT2ANPC1GAAMEN1MAPT
SCHEMBL411698 0.77 TUBB4A (0.56) PDGFRBKMT2AMEN1MAPT
SCHEMBL28327745 0.77 FYN (0.41) IDO1KDRFLT1FLT4GPBAR1
SCHEMBL704825 0.76 PDE10A (0.59) KMT2ANPC1GAAPDE10AMEN1
SCHEMBL411388 0.76 TUBB4A (0.54) PDGFRBKMT2AMEN1MAPT
SCHEMBL702632 0.75 KMT2A (0.49) KMT2ANPC1KDRMEN1MAPT

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 IDO1 1451/4885PDGFRB 2788/4885PDGFRA 2933/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 IDO1 1571/4885PDGFRB 2591/4885PDGFRA 2795/4885

“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.