SCHEMBL213516

SCHEMBL213516

CSc1nc(Cc2ccsc2)[nH]c(=O)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
PNP P00491 4/20 0.46
LMNA P02545 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
PRNP P04156 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARG P37231 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
ACMSD Q8TDX5 1/20 0.37
RET P07949 1/20 0.36
GFER P55789 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 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
SCHEMBL213872 0.83 GAA (0.57) GAALMNAMEN1KMT2AHPGD
SCHEMBL212312 0.81 MEN1 (0.56) GAALMNAMEN1KMT2AHPGD
SCHEMBL212571 0.79 PNP (0.42) GAAPNPMEN1KMT2AHPGD
SCHEMBL213830 0.79 KDM4E (0.57) GAALMNAMEN1KMT2AHPGD
SCHEMBL212705 0.79 MEN1 (0.55) GAAPNPLMNAMEN1KMT2A
SCHEMBL214504 0.78 PNP (0.43) GAAPNPMEN1KMT2AHPGD
SCHEMBL2735199 0.78 ALDH1A1 (0.42) PNPLMNAMEN1KMT2AHPGD
SCHEMBL212506 0.77 PNP (0.42) PNPLMNAALDH1A1KDM4EACMSD
SCHEMBL2735190 0.77 PNP (0.42) GAAPNPMEN1KMT2AHPGD
SCHEMBL214315 0.77 GAA (0.53) GAALMNAMEN1KMT2AHPGD

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 19 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
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
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
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 GAA 2992/4885PNP 1449/4885LMNA 2224/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 GAA 2992/4885PNP 1449/4885LMNA 2224/4885

“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.