SCHEMBL705177

SCHEMBL705177

O=c1[nH]nc(-c2ccccc2)cc1-c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
CA12 O43570 1/20 0.54
ALPL P05186 1/20 0.54
RPA1 P27694 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RET P07949 1/20 0.50
KDR P35968 1/20 0.50
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
GRM2 Q14416 1/20 0.47
TP53 P04637 1/20 0.46
CYP1A2 P05177 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL1754735 0.90 POLB (0.57) MAPTMKNK1MKNK2MEN1KMT2A
SCHEMBL3048297 0.86 MAPT (0.55) MAPTCA12ALPLRPA1MEN1
SCHEMBL1754686 0.82 GSK3B (0.49) MAPTPOLBRAB9ATP53CYP1A2
SCHEMBL25430210 0.78 RAB9A (0.79) MAPTCA12ALPLRPA1MEN1
SCHEMBL19131260 0.78 RAB9A (0.79) MAPTCA12ALPLRPA1MEN1
SCHEMBL15577635 0.77 MAPT (0.59) MAPTMKNK1MKNK2CA12ALPL
SCHEMBL17016671 0.77 MAPT (0.59) MAPTMKNK1MKNK2CA12ALPL
SCHEMBL25301622 0.77 MAPT (0.59) MAPTMKNK1MKNK2CA12ALPL
SCHEMBL4045467 0.75 CYP1A2 (0.43) MAPTMKNK1MKNK2NPC1POLB
SCHEMBL11402759 0.75 MAPT (0.58) MAPTMKNK1MKNK2CA12ALPL

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 22 patents — showing the first 20. 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-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-7718612-B2 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718612-B2 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 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
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
WO-2008019266-A2 ACYCLIC, PYRIDAZINONE-DERIVED HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
WO-2008019303-A2 PYRIDAZINONYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO 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
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors NAKAJIMA SUANNE (US) 2004-09-16 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 (4 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-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors PRSS1, SPINT2, TMPRSS4 MAPT 4248/4885MKNK1 2007/4885MKNK2 2474/4885
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 MAPT 4214/4885MKNK1 1787/4885MKNK2 2334/4885
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 MAPT 3892/4885MKNK1 1621/4885MKNK2 2045/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 MAPT 4280/4885MKNK1 1774/4885MKNK2 2367/4885

“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.