SCHEMBL2735237

SCHEMBL2735237

COc1ccccc1Cc1nc(N2CCCCC2)c(C#N)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.53
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
HSD11B1 P28845 1/20 0.46
HTT P42858 5/20 0.46
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2735185 0.90 PDE9A (0.50) PDE9AALDH1A1KDM4EHTTHPGD
SCHEMBL2735234 0.89 PDE9A (0.53) PDE9AALDH1A1HSD11B1HTTCCNE2
SCHEMBL8252528 0.89 PDE9A (0.57) PDE9AALDH1A1KDM4EHSD11B1HTT
SCHEMBL2735168 0.86 PDE9A (0.49) PDE9AALDH1A1KDM4EHTTHPGD
SCHEMBL2735253 0.86 PDE9A (0.48) PDE9AALDH1A1KDM4EHTTHPGD
SCHEMBL2735236 0.86 PDE9A (0.49) PDE9AALDH1A1KDM4EHSD11B1HTT
SCHEMBL2735173 0.85 PDE9A (0.50) PDE9AALDH1A1KDM4EHTTHPGD
SCHEMBL2735235 0.85 PDE9A (0.73) PDE9AALDH1A1KDM4EHSD11B1HTT
SCHEMBL2735175 0.83 PDE9A (0.48) PDE9AALDH1A1KDM4EHTTHPGD
SCHEMBL2735207 0.82 PDE9A (0.79) PDE9AALDH1A1KDM4EHTTHPGD

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-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 280/4885ALDH1A1 3690/4885KDM4E 1288/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 PDE9A 280/4885ALDH1A1 3690/4885KDM4E 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.