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SCHEMBL2972452

SCHEMBL2972452

CN1C(=N)N[C@](C)(c2c(F)cccc2F)[C@@H](c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ESR1 P03372 3/20 0.35
▸ HDAC11 Q96DB2 1/20 0.33
▸ CCKAR P32238 2/20 0.32
▸ CCKBR P32239 2/20 0.32
▸ AR P10275 1/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KIF11 P52732 1/20 0.30
▸ F7 P08709 1/20 0.30
▸ F3 P13726 1/20 0.30
▸ TRPV4 Q9HBA0 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
SCHEMBL2972451 1.00 MEN1 (0.37) MEN1KMT2AESR1HDAC11CCKAR
SCHEMBL8203824 1.00 MEN1 (0.37) MEN1KMT2AESR1HDAC11CCKAR
SCHEMBL7552276 0.92 MEN1 (0.30) MEN1KMT2A
SCHEMBL13054739 0.92 MEN1 (0.30) MEN1KMT2A
SCHEMBL13054077 0.89 ESR1 (0.36) MEN1KMT2AESR1HDAC11CCKAR
SCHEMBL7576393 0.89 ESR1 (0.36) MEN1KMT2AESR1HDAC11CCKAR
SCHEMBL18294772 0.86 MEN1 (0.33) MEN1KMT2AESR1PGRALDH1A1
SCHEMBL7588267 0.86 MEN1 (0.33) MEN1KMT2AESR1PGRALDH1A1
SCHEMBL13053916 0.85 MEN1 (0.37) MEN1KMT2AESR1HDAC11AR
SCHEMBL7572829 0.85 MEN1 (0.37) MEN1KMT2AESR1HDAC11AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160356794-A1 ANTIBODIES THAT BIND TO HUMAN TAU AND ASSAY FOR QUANTIFYING HUMAN TAU USING THE ANTIBODIES MERCK SHARP & DOHME CORP. (US) 2016-12-08 — — US disclosed
US-20160356794-A1 ANTIBODIES THAT BIND TO HUMAN TAU AND ASSAY FOR QUANTIFYING HUMAN TAU USING THE ANTIBODIES MERCK SHARP & DOHME CORP. (US) 2016-12-08 — — US disclosed
EP-2097387-B1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-04 — — EP disclosed
EP-2097387-B1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-04 — — EP disclosed
WO-2015120364-A1 ANTIBODIES THAT BIND TO HUMAN TAU AND ASSAY FOR QUANTIFYING HUMAN TAU USING THE ANTIBODIES MERCK SHARP & DOHME CORP. (US) 2015-08-13 — — WO disclosed
US-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
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-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — 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-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-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
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 — — WO 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-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 MEN1 1192/4885KMT2A 4458/4885ESR1 1530/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D MEN1 364/4885KMT2A 3390/4885ESR1 2764/4885
US-20160356794-A1 ANTIBODIES THAT BIND TO HUMAN TAU AND ASSAY FOR QUANTIFYING HUMAN TAU USING THE ANTIBODIES MAPT, MAP4, MAP1B MEN1 2061/4885KMT2A 2670/4885ESR1 4406/4885
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 MEN1 4299/4885KMT2A 4715/4885ESR1 3564/4885

“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.