Sugi Predict

Sugi Predict / Compounds / SCHEMBL7561647

SCHEMBL7561647

SCHEMBL7561647

COc1ccc(CNCc2ccccn2)c(-c2cccc(C3(C)NC(=N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ BACE1 P56817 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL7568353 0.91 RXFP1 (0.39) KMT2ABACE1PIK3CGCYP3A4CYP2C19
SCHEMBL7568587 0.90 L3MBTL1 (0.40) BACE1PIK3CGDGAT2CYP3A4CYP2C19
SCHEMBL7566199 0.90 BACE1 (0.40) KMT2ABACE1PIK3CGDGAT2CYP3A4
SCHEMBL8207880 0.90 RXFP1 (0.38) KMT2ABACE1PIK3CGDGAT2CYP3A4
SCHEMBL7546227 0.88 BACE1 (0.39) BACE1PIK3CGRXFP1LTA4HMMP13
SCHEMBL7567782 0.88 PIK3CG (0.38) KMT2ABACE1PIK3CGRXFP1ALDH1A1
SCHEMBL7573154 0.88 ACP1 (0.37) GAAKMT2ABACE1PIK3CGCYP3A4
SCHEMBL2969070 0.87 ACP1 (0.39) KMT2ABACE1PIK3CGDGAT2CYP3A4
SCHEMBL13558865 0.87 KMT2A (0.36) GAAKMT2ABACE1PIK3CGDGAT2
SCHEMBL7581366 0.87 BACE1 (0.40) BACE1PIK3CGCYP3A4CYP2C19RXFP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — 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-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-7763609-B2 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 (US) 2010-07-27 — — US disclosed
US-7763609-B2 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 (US) 2010-07-27 — — 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

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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 GAA 1474/4885KMT2A 4458/4885BACE1 8/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D GAA 325/4885KMT2A 3390/4885BACE1 1/4885
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 GAA 412/4885KMT2A 4715/4885BACE1 41/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D GAA 325/4885KMT2A 3390/4885BACE1 1/4885

“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.