SCHEMBL2735211

SCHEMBL2735211

N#Cc1c(N2CCC(CCO)CC2)nc(Cc2ccccc2Cl)[nH]c1=O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.67
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
TYMP P19971 1/20 0.39
HSD11B1 P28845 8/20 0.38
BRD4 O60885 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ENPP1 P22413 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PDE5A O76074 1/20 0.36
GAA P10253 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL213042 0.89 PDE9A (0.69) PDE9AKDM4ELMNATYMPBRD4
SCHEMBL215586 0.89 PDE9A (0.67) PDE9AMAPTTYMPSMN1; SMN2ALDH1A1
SCHEMBL2735245 0.87 PDE9A (0.65) PDE9AKDM4ELMNABRD4SMN1; SMN2
SCHEMBL2735235 0.86 PDE9A (0.73) PDE9AKDM4EMAPTHSD11B1SMN1; SMN2
SCHEMBL2735227 0.86 PDE9A (0.65) PDE9ASMN1; SMN2ALDH1A1NPSR1PDE10A
SCHEMBL212444 0.85 PDE9A (0.69) PDE9AKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL2735258 0.84 PDE9A (0.65) PDE9AKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL2735249 0.82 PDE9A (0.60) PDE9AKDM4ELMNATYMPSMN1; SMN2
SCHEMBL2735217 0.81 PDE9A (0.64) PDE9AMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL2735213 0.81 PDE9A (0.49) PDE9AKDM4ELMNAMAPTHSD11B1

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 8 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-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
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 280/4885KDM4E 1288/4885LMNA 2224/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 PDE9A 280/4885KDM4E 1288/4885LMNA 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.