SCHEMBL215931

SCHEMBL215931

N#Cc1c(N2CCN(C=O)CC2)nc(Cc2ccsc2)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
PNP P00491 4/20 0.40
PDE9A O76083 2/20 0.38
F2R P25116 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.33
HPGD P15428 3/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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) ALDH1A1KDM4EPNPPDE9AATM
SCHEMBL214504 0.89 PNP (0.43) ALDH1A1KDM4EPNPPDE9AF2R
SCHEMBL2735190 0.88 PNP (0.42) ALDH1A1KDM4EPNPPDE9AATM
SCHEMBL212290 0.87 PNP (0.42) ALDH1A1KDM4EPNPPDE9AATM
SCHEMBL8286854 0.86 PNP (0.40) ALDH1A1KDM4EPNPPDE9AF2R
SCHEMBL213149 0.86 PNP (0.40) ALDH1A1KDM4EPNPPDE9AF2R
SCHEMBL2735199 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EPNPPDE9AATM
SCHEMBL2735202 0.85 ATM (0.53) ALDH1A1KDM4EF2RATMPOLB
SCHEMBL2735201 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EPNPPDE9AKMT2A
SCHEMBL213267 0.84 KDM4E (0.43) ALDH1A1KDM4EPNPPDE9APOLB

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 17 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
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

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 ALDH1A1 3690/4885KDM4E 1288/4885PNP 1449/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 ALDH1A1 3690/4885KDM4E 1288/4885PNP 1449/4885

“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.