SCHEMBL212878

SCHEMBL212878

N#Cc1c(N2CCC3(CC2)OCCCO3)nc(Cc2ccsc2)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.37
PDE9A O76083 14/20 0.36
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
ATM Q13315 1/20 0.33
ADORA2A P29274 1/20 0.32

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
SCHEMBL212270 0.96 PNP (0.38) PNPPDE9APIK3CAMTORADORA2A
SCHEMBL214504 0.86 PNP (0.43) PNPPDE9AATMADORA2A
SCHEMBL214634 0.86 PDE9A (0.45) PNPPDE9A
SCHEMBL2735199 0.86 ALDH1A1 (0.42) PNPPDE9APIK3CAMTORATM
SCHEMBL2735190 0.85 PNP (0.42) PNPPDE9AATMADORA2A
SCHEMBL212571 0.83 PNP (0.42) PNPPDE9AATM
SCHEMBL212290 0.83 PNP (0.42) PNPPDE9AATM
SCHEMBL2735191 0.81 PNP (0.37) PNPPDE9AADORA2A
SCHEMBL213267 0.80 KDM4E (0.43) PNPPDE9A
SCHEMBL8286854 0.80 PNP (0.40) PNPPDE9AATM

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 15 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
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 PNP 1449/4885PDE9A 280/4885PIK3CA 1630/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 PNP 1449/4885PDE9A 280/4885PIK3CA 1630/4885

“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.