SCHEMBL2735258

SCHEMBL2735258

N#Cc1c(N2CCC(CCO)CC2)nc(Cc2ccccc2OCc2ccccc2)[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.65
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.36
PDE10A Q9Y233 1/20 0.34
IKBKB O14920 1/20 0.34
CXCR2 P25025 1/20 0.34
CSNK1A1 P48729 2/20 0.34
SLC5A1 P13866 2/20 0.33
KDM4E B2RXH2 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
LMNA P02545 1/20 0.33
SLC5A2 P31639 1/20 0.33
PDE5A O76074 1/20 0.33

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
SCHEMBL212444 0.90 PDE9A (0.69) PDE9AALDH1A1SMN1; SMN2NPSR1PDE10A
SCHEMBL2735259 0.90 PDE9A (0.52) PDE9APDE1APDE1BPDE1CALDH1A1
SCHEMBL2735257 0.88 PDE9A (0.52) PDE9APDE1APDE1BPDE1CALDH1A1
SCHEMBL2735235 0.88 PDE9A (0.73) PDE9AALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL2735227 0.87 PDE9A (0.65) PDE9APDE1APDE1BPDE1CALDH1A1
SCHEMBL2735253 0.86 PDE9A (0.48) PDE9APDE1APDE1BPDE1CALDH1A1
SCHEMBL215586 0.84 PDE9A (0.67) PDE9AALDH1A1SMN1; SMN2NPSR1PDE10A
SCHEMBL2735211 0.84 PDE9A (0.67) PDE9AALDH1A1SMN1; SMN2NPSR1PDE10A
SCHEMBL213042 0.84 PDE9A (0.69) PDE9AALDH1A1SMN1; SMN2NPSR1PDE10A
SCHEMBL2735245 0.82 PDE9A (0.65) PDE9AALDH1A1SMN1; SMN2NPSR1KDM4E

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 9 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

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.