SCHEMBL213549

SCHEMBL213549

CC1CCN(c2nc(Cc3ccsc3)[nH]c(=O)c2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
NPSR1 Q6W5P4 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PDE9A O76083 3/20 0.43
POLB P06746 1/20 0.41
PNP P00491 2/20 0.40
KDM4E B2RXH2 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 3/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 2/20 0.33

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
SCHEMBL214189 0.90 PDE9A (0.44) ALDH1A1NPSR1SMN1; SMN2PDE9APNP
SCHEMBL215072 0.90 PDE9A (0.43) ALDH1A1NPSR1SMN1; SMN2PDE9APNP
SCHEMBL212571 0.89 PNP (0.42) ALDH1A1NPSR1SMN1; SMN2PDE9APOLB
SCHEMBL214504 0.89 PNP (0.43) ALDH1A1NPSR1PDE9APOLBPNP
SCHEMBL2735189 0.88 PNP (0.40) ALDH1A1NPSR1SMN1; SMN2PDE9APNP
SCHEMBL2735190 0.88 PNP (0.42) ALDH1A1NPSR1SMN1; SMN2PDE9APOLB
SCHEMBL212290 0.87 PNP (0.42) ALDH1A1SMN1; SMN2PDE9APNPKDM4E
SCHEMBL212877 0.87 PDE9A (0.56) ALDH1A1NPSR1SMN1; SMN2PDE9APNP
SCHEMBL214634 0.86 PDE9A (0.45) PDE9APNP
SCHEMBL213149 0.86 PNP (0.40) ALDH1A1NPSR1PDE9APOLBPNP

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 18 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
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 ALDH1A1 3690/4885NPSR1 303/4885SMN1; SMN2 2444/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 ALDH1A1 3690/4885NPSR1 303/4885SMN1; SMN2 2444/4885

“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.