SCHEMBL2735136

SCHEMBL2735136

CC1CCN(c2nc(Cc3cccc(Cl)c3)[nH]c(=O)c2C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
PDE9A O76083 2/20 0.44
PDE5A O76074 4/20 0.43
POLB P06746 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
NR3C1 P04150 2/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
HSD11B1 P28845 1/20 0.41
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCR2 P41597 1/20 0.39

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
SCHEMBL2735144 0.90 KDM4E (0.49) ALDH1A1NPSR1SMN1; SMN2PDE9APOLB
SCHEMBL213102 0.89 MEN1 (0.47) ALDH1A1NPSR1PDE9APDE5APOLB
SCHEMBL214135 0.88 HTR6 (0.46) PDE9APDE5APOLBMEN1KMT2A
SCHEMBL2735137 0.88 KDM4E (0.46) ALDH1A1NPSR1PDE9APDE5APOLB
SCHEMBL212711 0.86 PDE9A (0.46) PDE9APDE5APOLBMEN1KMT2A
SCHEMBL215762 0.86 PIK3CB (0.49) ALDH1A1PDE9APDE5APOLBMEN1
SCHEMBL2735149 0.82 KDM4E (0.48) ALDH1A1NPSR1SMN1; SMN2PDE9APOLB
SCHEMBL2735143 0.82 KDM4E (0.48) ALDH1A1NPSR1SMN1; SMN2PDE9APOLB
SCHEMBL213549 0.80 ALDH1A1 (0.45) ALDH1A1NPSR1SMN1; SMN2PDE9APOLB
SCHEMBL2735151 0.80 KDM4E (0.53) ALDH1A1NPSR1PDE9APOLBMEN1

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 7 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

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 ALDH1A1 3690/4885NPSR1 303/4885SMN1; SMN2 2444/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 ALDH1A1 3690/4885NPSR1 303/4885SMN1; 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.