SCHEMBL212571

SCHEMBL212571

CN1CCN(c2nc(Cc3ccsc3)[nH]c(=O)c2C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE9A O76083 1/20 0.40
POLB P06746 3/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH4 Q9H3N8 3/20 0.37
HTR3A P46098 1/20 0.37
FLT3 P36888 1/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
TSHR P16473 4/20 0.36
HTR6 P50406 1/20 0.36
CASP1 P29466 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
ATM Q13315 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
SCHEMBL214504 0.91 PNP (0.43) PNPPDE9APOLBHTTNPSR1
SCHEMBL2735197 0.91 PNP (0.39) PNPPDE9APOLBHTTRAB9A
SCHEMBL213149 0.91 PNP (0.40) PNPPDE9APOLBNPSR1HRH4
SCHEMBL2735190 0.90 PNP (0.42) PNPPDE9APOLBHTTNPSR1
SCHEMBL212290 0.89 PNP (0.42) PNPPDE9AKDM4EALDH1A1HTR6
SCHEMBL2735194 0.89 PDE9A (0.41) PNPPDE9APOLBHTTRAB9A
SCHEMBL213267 0.89 KDM4E (0.43) PNPCYP1A2CYP2C19PDE9APOLB
SCHEMBL8286854 0.89 PNP (0.40) PNPPDE9APOLBHTTRAB9A
SCHEMBL214634 0.89 PDE9A (0.45) PNPPDE9A
SCHEMBL215931 0.89 ALDH1A1 (0.41) PNPPDE9APOLBHTTRAB9A

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 22 patents — showing the first 20. 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-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
EP-1709009-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) 2006-10-11 EP 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
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 PNP 1449/4885CYP1A2 2093/4885CYP2C19 941/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 PNP 1449/4885CYP1A2 2093/4885CYP2C19 941/4885

“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.