Sugi Predict

Sugi Predict / Compounds / SCHEMBL7576243

SCHEMBL7576243

SCHEMBL7576243

CN1C(=N)N[C@](C)(c2ccc3cnn(CC4CCCCC4)c3c2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.47
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ NPBWR1 P48145 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CHRM2 P08172 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ DYRK3 O43781 2/20 0.30
▸ CLK1 P49759 2/20 0.30
▸ CLK3 P49761 2/20 0.30
▸ DYRK1A Q13627 2/20 0.30
▸ DYRK2 Q92630 2/20 0.30
▸ CLK4 Q9HAZ1 2/20 0.30
▸ DYRK1B Q9Y463 2/20 0.30
▸ DYRK4 Q9NR20 1/20 0.30
▸ CLK2 P49760 1/20 0.30

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
SCHEMBL7574739 0.99 BRD4 (0.45) BRD4PDE1APDE1BPDE1CLMNA
SCHEMBL7551419 0.97 BRD4 (0.43) BRD4PDE1APDE1BPDE1CNPBWR1
SCHEMBL7546569 0.96 BRD4 (0.43) BRD4CHRM2CHRM1CYP19A1CHRM3
SCHEMBL7544890 0.93 BRD4 (0.41) BRD4PDE1APDE1BPDE1CLMNA
SCHEMBL7560740 0.91 BRD4 (0.39) BRD4PDE1APDE1BPDE1CLMNA
SCHEMBL7558963 0.89 BRD4 (0.38) BRD4CHRM2CHRM1CYP19A1
SCHEMBL7562557 0.88 BRD4 (0.35) BRD4CHRM2CHRM1CHRM3
SCHEMBL7575056 0.86 CYP19A1 (0.33) BRD4CYP19A1
SCHEMBL2962074 0.85 KMO (0.34) BRD4CYP19A1
SCHEMBL8200782 0.84 PDE1A (0.35) BRD4PDE1APDE1BPDE1CLMNA

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 BRD4 2961/4885PDE1A 461/4885PDE1B 451/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D BRD4 3219/4885PDE1A 161/4885PDE1B 285/4885
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 BRD4 2638/4885PDE1A 2141/4885PDE1B 1494/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D BRD4 3219/4885PDE1A 161/4885PDE1B 285/4885

“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.