SCHEMBL2735162

SCHEMBL2735162

Cc1cccc(Cc2nc(NCC3COC(C)(C)O3)c(C#N)c(=O)[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE9A O76083 1/20 0.36
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BUB1 O43683 1/20 0.34
GAA P10253 3/20 0.33
HPGD P15428 3/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALK Q9UM73 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33

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
SCHEMBL2735159 0.82 KDM4E (0.50) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL2735157 0.77 KDM4E (0.52) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL213187 0.75 CTSS (0.52) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL2735161 0.75 KDM4E (0.50) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL2735154 0.74 CTSS (0.53) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL2735153 0.73 KDM4E (0.48) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL2735155 0.73 KDM4E (0.47) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL2735156 0.71 KDM4E (0.45) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL2759964 0.71 KDM4E (0.59) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL213830 0.69 KDM4E (0.57) KDM4EBRD4ALDH1A1GAAHPGD

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 1288/4885PDE4A 337/4885PDE4B 698/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 KDM4E 1288/4885PDE4A 337/4885PDE4B 698/4885

“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.