SCHEMBL883446

SCHEMBL883446

COc1ccc2c(C)cc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
KDM4E B2RXH2 5/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSS P25774 1/20 0.37
CYP1A1 P04798 4/20 0.35
CYP1B1 Q16678 4/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLAU P00749 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL7944203 0.92 CTSS (0.40) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL13336763 0.89 CTSS (0.37) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL313693 0.88 CTSS (0.38) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL12951727 0.88 CTSS (0.36) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL8008964 0.88 NPC1 (0.37) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL874861 0.88 CTSS (0.36) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL8005359 0.88 CTSS (0.36) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL3427399 0.87 CTSS (0.39) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL883451 0.87 CTSS (0.39) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL3429820 0.86 CTSS (0.37) MAPTKDM4ENPC1RAB9AL3MBTL1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547645-B1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV JANSSEN PHARMACEUTICALS INC (US) 2018-07-04 EP disclosed
US-20180093943-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2018-04-05 US disclosed
EP-3239129-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV Janssen Pharmaceuticals, Inc. (US) 2017-11-01 EP disclosed
US-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2017-06-01 US disclosed
US-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2017-06-01 US disclosed
US-9586893-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV Janssen Pharmaceuticals (US) 2017-03-07 US disclosed
US-9586893-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV Janssen Pharmaceuticals (US) 2017-03-07 US disclosed
US-9328108-B2 Process for preparing an intermediate of the macrocyclic protease inhibitor TMC 435 Janssen Pharmaceuticals, Inc. (US) 2016-05-03 US disclosed
US-9328108-B2 Process for preparing an intermediate of the macrocyclic protease inhibitor TMC 435 Janssen Pharmaceuticals, Inc. (US) 2016-05-03 US disclosed
US-20150152098-A1 PROCESS FOR PREPARING AN INTERMEDIATE OF THE MACROCYCLIC PROTEASE INHIBITOR TMC 435 JANSSEN PHARMACEUTICALS INC (US) 2015-06-04 US disclosed
US-20140235852-A1 PROCESS FOR PREPARING AN INTERMEDIATE OF THE MACROCYCLIC PROTEASE INHIBITOR TMC 435 Janssen Pharmaceuticals, Inc. (US) 2014-08-21 US disclosed
US-8445430-B2 Cyclic carboxamide compounds and analogues thereof as of hepatitis C virus ACHILLION PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2013-01-03 US disclosed
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2013-01-03 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 WO disclosed
WO-2011113859-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-09-22 WO disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 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 (7 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP MAPT 4366/4885KDM4E 695/4885NPC1 2805/4885
US-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 MAPT 2229/4885KDM4E 4062/4885NPC1 447/4885
US-20150152098-A1 PROCESS FOR PREPARING AN INTERMEDIATE OF THE MACROCYCLIC PROTEASE INHIBITOR TMC 435 CTRC, GTF3C4, TMPRSS4 MAPT 3625/4885KDM4E 413/4885NPC1 735/4885
US-20140235852-A1 PROCESS FOR PREPARING AN INTERMEDIATE OF THE MACROCYCLIC PROTEASE INHIBITOR TMC 435 CTRC, GTF3C4, CTSC MAPT 4044/4885KDM4E 306/4885NPC1 970/4885
US-20180093943-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV CTRC, HAVCR2, HGFAC MAPT 2655/4885KDM4E 2006/4885NPC1 1509/4885
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 MAPT 2229/4885KDM4E 4062/4885NPC1 447/4885
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS MAPT 3727/4885KDM4E 4649/4885NPC1 525/4885

“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.