SCHEMBL2735239

SCHEMBL2735239

N#Cc1c(N2CCC[C@H]2CO)nc(Cc2ccccc2C(F)(F)F)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
PDE9A O76083 1/20 0.45
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK1 P06493 1/20 0.42
KHK P50053 1/20 0.41
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL2735174 0.88 PDE9A (0.45) CNR2PDE9ACCNE2CDK4CCND1
SCHEMBL2735230 0.88 PDE9A (0.45) CNR2PDE9ACCNE2CDK4CCND1
SCHEMBL8284874 0.87 PDE9A (0.45) CNR2PDE9ACCNE2CDK4CCND1
SCHEMBL2735172 0.86 PDE9A (0.46) PDE9ACCNE2CDK4CCND1CCNE1
SCHEMBL2735212 0.86 PDE9A (0.45) PDE9ACCNE2CDK4CCND1CCNE1
SCHEMBL2735233 0.84 PDE9A (0.50) PDE9ACCNE2CCNE1CDK2CDK1
SCHEMBL2735184 0.83 PDE9A (0.47) PDE9ACCNE2CDK4CCND1CCNE1
SCHEMBL2735240 0.82 PDE9A (0.48) PDE9AKHKKDM4EALDH1A1MAPT
SCHEMBL2735245 0.81 PDE9A (0.65) PDE9AKHKKDM4EALDH1A1HPGD
SCHEMBL2735256 0.81 PDE9A (0.44) PDE9ACCNE2CDK4CCND1CCNE1

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 CNR2 111/4885PDE9A 280/4885CCNE2 2002/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 CNR2 111/4885PDE9A 280/4885CCNE2 2002/4885

“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.