SCHEMBL2735167

SCHEMBL2735167

Cc1ccccc1Cc1nc(N2CCC(C#N)CC2)c(C#N)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.53
ALDH1A1 P00352 9/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 6/20 0.37
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAPGEF4 Q8WZA2 2/20 0.36
BRD4 O60885 1/20 0.36
POLB P06746 1/20 0.36
CCR2 P41597 1/20 0.35
C5AR1 P21730 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL2735170 0.90 PDE9A (0.55) PDE9AALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL2735173 0.89 PDE9A (0.50) PDE9AALDH1A1NPSR1HPGDKDM4E
SCHEMBL2735176 0.88 PDE9A (0.51) PDE9AALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL2735168 0.88 PDE9A (0.49) PDE9AALDH1A1NPSR1HPGDKDM4E
SCHEMBL213042 0.87 PDE9A (0.69) PDE9AALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL2759965 0.85 PDE9A (0.49) PDE9AALDH1A1HPGDKDM4ELMNA
SCHEMBL2735143 0.83 KDM4E (0.48) PDE9AALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL2735171 0.83 PDE9A (0.48) PDE9AALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL2735169 0.82 PDE9A (0.45) PDE9AALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL2735177 0.80 PDE9A (0.53) PDE9AALDH1A1SMN1; SMN2NPSR1HPGD

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 280/4885ALDH1A1 3690/4885SMN1; SMN2 2444/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 PDE9A 280/4885ALDH1A1 3690/4885SMN1; SMN2 2444/4885

“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.