SCHEMBL2735153

SCHEMBL2735153

Cc1cccc(Cc2nc(NC3CCC(C)CC3)c(C#N)c(=O)[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
PDE9A O76083 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
BRD4 O60885 1/20 0.39
GPR6 P46095 2/20 0.38
ALDH1A1 P00352 3/20 0.37
PKM P14618 1/20 0.37
MAPK14 Q16539 1/20 0.37
FER P16591 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2735157 0.96 KDM4E (0.52) KDM4ECTSSCTSKPDE9APDE4A
SCHEMBL213187 0.92 CTSS (0.52) KDM4ECTSSCTSKPDE9APDE4A
SCHEMBL2735155 0.91 KDM4E (0.47) KDM4ECTSSCTSKPDE9APDE4A
SCHEMBL2735154 0.91 CTSS (0.53) KDM4ECTSSCTSKPDE9APDE4A
SCHEMBL2735156 0.89 KDM4E (0.45) KDM4ECTSSCTSKPDE9APDE4A
SCHEMBL2735135 0.85 MEN1 (0.44) KDM4EPDE9APDE4APDE4BPDE4C
SCHEMBL2735159 0.82 KDM4E (0.50) KDM4ECTSSCTSKPDE9APDE4A
SCHEMBL215764 0.81 KDM4E (0.47) KDM4ECTSSCTSKPDE9APDE4A
SCHEMBL212859 0.81 HSD11B1 (0.44) KDM4ECTSSCTSKPDE9AALDH1A1
SCHEMBL2735134 0.80 HSD11B1 (0.43) KDM4ECTSSCTSKPDE9AALDH1A1

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 6 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-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-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 1288/4885CTSS 3736/4885CTSK 3871/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 KDM4E 1288/4885CTSS 3736/4885CTSK 3871/4885

“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.