SCHEMBL2735142

SCHEMBL2735142

Cc1cccc(Cc2nc(N3CCC(C)(C)CC3)c(C#N)c(=O)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
PDE9A O76083 12/20 0.47
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
BRD4 O60885 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
AKT3 Q9Y243 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL212711 0.90 PDE9A (0.46) KDM4EPDE9ACCNE2CCNE1CDK2
SCHEMBL2735151 0.90 KDM4E (0.53) KDM4EPDE9ACCNE2CCNE1CDK2
SCHEMBL2735145 0.89 KDM4E (0.52) KDM4EPDE9ACCNE2CCNE1CDK2
SCHEMBL2735152 0.89 KDM4E (0.46) KDM4EPDE9ACCNE2CCNE1CDK2
SCHEMBL2735144 0.86 KDM4E (0.49) KDM4EPDE9ACCNE2CCNE1CDK2
SCHEMBL2735149 0.85 KDM4E (0.48) KDM4EPDE9ACCNE2CCNE1CDK2
SCHEMBL2735143 0.85 KDM4E (0.48) KDM4EPDE9ACCNE2CCNE1CDK2
SCHEMBL2759965 0.83 PDE9A (0.49) KDM4EPDE9ABRD4AKT1AKT2
SCHEMBL214634 0.82 PDE9A (0.45) PDE9AAKT1AKT2AKT3
SCHEMBL214447 0.82 PDE9A (0.59) KDM4EPDE9ACCNE2CCNE1CDK2

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 8 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

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 KDM4E 1288/4885PDE9A 280/4885CCNE2 2002/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 KDM4E 1288/4885PDE9A 280/4885CCNE2 2002/4885

“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.