SCHEMBL2735236

SCHEMBL2735236

COc1ccccc1Cc1nc(N2CCC3(CC2)OCCO3)c(C#N)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.49
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
HSD11B1 P28845 1/20 0.40
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
ATM Q13315 4/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDH1 O75874 3/20 0.37
PNP P00491 1/20 0.36

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
SCHEMBL2735225 0.90 PDE9A (0.44) PDE9AMAPTKDM4EALDH1A1GAA
SCHEMBL2735234 0.89 PDE9A (0.53) PDE9AMAPTALDH1A1HSD11B1CCNE2
SCHEMBL2735169 0.88 PDE9A (0.45) PDE9AMAPTKDM4EALDH1A1GAA
SCHEMBL2735260 0.88 PDE9A (0.43) PDE9AMAPTKDM4EALDH1A1ATM
SCHEMBL2735210 0.86 PDE9A (0.43) PDE9AMAPTKDM4EALDH1A1HSD11B1
SCHEMBL2735180 0.86 ALDH1A1 (0.44) PDE9AKDM4EALDH1A1GAAPKM
SCHEMBL2735237 0.86 PDE9A (0.53) PDE9AMAPTKDM4EALDH1A1GAA
SCHEMBL2735244 0.84 PDE9A (0.43) PDE9AKDM4EALDH1A1GAAMAPK1
SCHEMBL8252528 0.83 PDE9A (0.57) PDE9AMAPTKDM4EALDH1A1GAA
SCHEMBL2735248 0.81 RAPGEF4 (0.41) PDE9AMAPTKDM4EALDH1A1GAA

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 280/4885MAPT 1242/4885KDM4E 1288/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 PDE9A 280/4885MAPT 1242/4885KDM4E 1288/4885

“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.