SCHEMBL2735149

SCHEMBL2735149

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
PDE9A O76083 1/20 0.46
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
BRD4 O60885 1/20 0.39
NR3C1 P04150 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL2735160 0.94 KDM4E (0.47) KDM4EPDE9AALDH1A1SMN1; SMN2CCNE2
SCHEMBL2735144 0.91 KDM4E (0.49) KDM4EPDE9AALDH1A1SMN1; SMN2CCNE2
SCHEMBL2735143 0.90 KDM4E (0.48) KDM4EPDE9AALDH1A1SMN1; SMN2CCNE2
SCHEMBL2735141 0.89 PDE9A (0.46) KDM4EPDE9AALDH1A1SMN1; SMN2NR3C1
SCHEMBL2735151 0.89 KDM4E (0.53) KDM4EPDE9AALDH1A1CCNE2CCNE1
SCHEMBL214447 0.89 PDE9A (0.59) KDM4EPDE9AALDH1A1SMN1; SMN2CCNE2
SCHEMBL2735146 0.89 KDM4E (0.45) KDM4EPDE9AALDH1A1SMN1; SMN2CCNE2
SCHEMBL2735145 0.88 KDM4E (0.52) KDM4EPDE9AALDH1A1SMN1; SMN2CCNE2
SCHEMBL2735247 0.85 PDE9A (0.47) KDM4EPDE9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL2735142 0.85 KDM4E (0.52) 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 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 KDM4E 1288/4885PDE9A 280/4885ALDH1A1 3690/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 KDM4E 1288/4885PDE9A 280/4885ALDH1A1 3690/4885

“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.