SCHEMBL2735256

SCHEMBL2735256

N#Cc1c(N2CCC[C@H]2CO)nc(Cc2ccccc2OCc2ccccc2)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.44
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
CD274 Q9NZQ7 1/20 0.38
CDK1 P06493 6/20 0.36
CDK5 Q00535 4/20 0.36
IKBKB O14920 1/20 0.36
SPHK2 Q9NRA0 4/20 0.35
SPHK1 Q9NYA1 2/20 0.35
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CHUK O15111 2/20 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
SCHEMBL2735184 0.90 PDE9A (0.47) PDE9APDE1APDE1BPDE1CCD274
SCHEMBL2735233 0.88 PDE9A (0.50) PDE9ACD274CDK1CCNE2CCNE1
SCHEMBL2735230 0.87 PDE9A (0.45) PDE9APDE1APDE1BPDE1CCCNE2
SCHEMBL8284874 0.84 PDE9A (0.45) PDE9ACCNE2CDK4CCND1CCNE1
SCHEMBL2735172 0.84 PDE9A (0.46) PDE9ACCNE2CDK4CCND1CCNE1
SCHEMBL2735174 0.84 PDE9A (0.45) PDE9ACCNE2CDK4CCND1CCNE1
SCHEMBL2735212 0.84 PDE9A (0.45) PDE9ACCNE2CDK4CCND1CCNE1
SCHEMBL2735259 0.83 PDE9A (0.52) PDE9APDE1APDE1BPDE1CIKBKB
SCHEMBL2735253 0.83 PDE9A (0.48) PDE9APDE1APDE1BPDE1C
SCHEMBL2735258 0.82 PDE9A (0.65) PDE9APDE1APDE1BPDE1CIKBKB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 PDE9A 280/4885PDE1A 782/4885PDE1B 777/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 PDE9A 280/4885PDE1A 782/4885PDE1B 777/4885

“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.