SCHEMBL213267

SCHEMBL213267

CC(=O)N1CCN(c2nc(Cc3ccsc3)[nH]c(=O)c2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 4/20 0.41
PDE9A O76083 1/20 0.39
PNP P00491 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 3/20 0.38
CTSK P43235 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
PTGES O14684 1/20 0.35
RECQL P46063 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL212571 0.89 PNP (0.42) KDM4EALDH1A1HPGDPDE9APNP
SCHEMBL2735196 0.89 MEN1 (0.44) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL214504 0.87 PNP (0.43) KDM4EALDH1A1HPGDPDE9APNP
SCHEMBL213149 0.86 PNP (0.40) KDM4EALDH1A1HPGDLMNAPDE9A
SCHEMBL2735190 0.86 PNP (0.42) KDM4EALDH1A1HPGDPDE9APNP
SCHEMBL212290 0.85 PNP (0.42) KDM4EALDH1A1HPGDPDE9APNP
SCHEMBL2735194 0.85 PDE9A (0.41) KDM4EALDH1A1HPGDLMNAPDE9A
SCHEMBL2735197 0.85 PNP (0.39) KDM4EALDH1A1HPGDLMNAPDE9A
SCHEMBL8286854 0.84 PNP (0.40) KDM4EALDH1A1HPGDLMNAPDE9A
SCHEMBL215072 0.84 PDE9A (0.43) KDM4EALDH1A1HPGDLMNAPDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709009-B1 6-AMINO-5-CYANO-PYRIMIDINE-4-ONES USED FOR IMPROVING PERCEPTION, POWER OF CONCENTRATION, LEARNING EFFICIENCY, AND/OR MEMORY POWER BOEHRINGER INGELHEIM INT (DE) 2013-11-20 EP disclosed
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 US disclosed
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 US disclosed
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 US disclosed
CN-102382063-A 6-amino-5-cyano-pyrimidine-4-ones compound used for improving perception, power of concentration, learning efficiency, and/or memory power BOEHRINGER INGELHEIM INT 2012-03-21 CN disclosed
US-8088769-B2 e.g. 2-(3,4-Dichlorophenyl)ethanamidine hydrochloride; phosphodiesterases inhibitor; learning enhancement, cognition activator; improving perception, concentration, or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-03 US disclosed
US-8088769-B2 e.g. 2-(3,4-Dichlorophenyl)ethanamidine hydrochloride; phosphodiesterases inhibitor; learning enhancement, cognition activator; improving perception, concentration, or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-03 US disclosed
US-8088769-B2 e.g. 2-(3,4-Dichlorophenyl)ethanamidine hydrochloride; phosphodiesterases inhibitor; learning enhancement, cognition activator; improving perception, concentration, or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-03 US disclosed
CN-1926117-B 6-amino-5-cyano-pyrimidin-4-ones for improved perception, attention, learning efficiency, and/or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-07 CN disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 US disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 US disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
EP-1890702-A1 USE OF CYANOPYRIMIDINES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-02-27 EP disclosed
CN-1926117-A 6-amino-5-cyano-pyrimidin-4-ones for improved perception, attention, learning efficiency, and/or memory BAYER HEALTHCARE AG (DE) 2007-03-07 CN disclosed
WO-2006125554-A1 USE OF CYANOPYRIMIDINES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2006-11-30 WO disclosed
WO-2006125554-A1 USE OF CYANOPYRIMIDINES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2006-11-30 WO disclosed
WO-2005068436-A1 6-AMINO-5-CYANO-PYRIMIDINE-4-ONES USED FOR IMPROVING PERCEPTION, POWER OF CONCENTRATION, LEARNING EFFICIENCY, AND/OR MEMORY POWER BAYER HEALTHCARE AG (DE) 2005-07-28 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 (2 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-20080255118-A1 Cyanopyrimidinones CACYBP, CHRM4, CHRNA4 KDM4E 1288/4885ALDH1A1 3690/4885HPGD 1435/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 KDM4E 1288/4885ALDH1A1 3690/4885HPGD 1435/4885

“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.