SCHEMBL7516984

SCHEMBL7516984

COc1cccc(NC(=O)Nc2ccc(CN3C(=N)NC(C)(CC(C)C)C3=O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
PTGER3 P43115 6/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 2/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HIF1A Q16665 1/20 0.44
STAT1 P42224 1/20 0.44
NAMPT P43490 1/20 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
SCHEMBL7522428 0.94 LMNA (0.62) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL7522644 0.94 LMNA (0.64) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL7517615 0.91 LMNA (0.56) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL7514408 0.91 LMNA (0.49) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7516764 0.90 LMNA (0.61) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL7517157 0.87 LMNA (0.56) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL7514871 0.86 SMN1; SMN2 (0.52) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL7518068 0.86 SMN1; SMN2 (0.52) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL7523028 0.86 LMNA (0.54) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL7523812 0.86 LMNA (0.51) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416108-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-20150105354-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 US disclosed
US-8937093-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 US disclosed
US-8937093-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 US disclosed
US-8778980-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20140057910-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2014-02-27 US disclosed
US-20140057910-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2014-02-27 US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 US disclosed
US-8242112-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-08-14 US disclosed
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-12-10 US disclosed
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-12-10 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 US disclosed
US-7592348-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592348-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 US disclosed
US-20070072852-A1 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents SCHERING CORPORATION 2007-03-29 US disclosed
US-20070072852-A1 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents SCHERING CORPORATION 2007-03-29 US 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 (8 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-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D LMNA 1624/4885MEN1 364/4885KMT2A 3390/4885
US-20140057910-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ LMNA 2376/4885MEN1 1927/4885KMT2A 4511/4885
US-20070072852-A1 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents CTSD, PRSS1, CTSZ LMNA 927/4885MEN1 1565/4885KMT2A 4699/4885
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ LMNA 2376/4885MEN1 1927/4885KMT2A 4511/4885
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 LMNA 1236/4885MEN1 4299/4885KMT2A 4715/4885
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 LMNA 2420/4885MEN1 1192/4885KMT2A 4458/4885
US-20150105354-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ LMNA 2376/4885MEN1 1927/4885KMT2A 4511/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D LMNA 1624/4885MEN1 364/4885KMT2A 3390/4885

“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.