SCHEMBL2735151

SCHEMBL2735151

Cc1cccc(Cc2nc(N3CCCC3)c(C#N)c(=O)[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 7/20 0.44
MAPT P10636 3/20 0.44
HIF1A Q16665 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 4/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
PDE9A O76083 1/20 0.42
BRD4 O60885 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL2735145 0.99 KDM4E (0.52) KDM4EALDH1A1MAPTHIF1AGAA
SCHEMBL2735142 0.90 KDM4E (0.52) KDM4EPOLBKMT2ACCNE2CCNE1
SCHEMBL2735144 0.90 KDM4E (0.49) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL2735149 0.89 KDM4E (0.48) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL2735143 0.89 KDM4E (0.48) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL2735147 0.88 KDM4E (0.46) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL2735138 0.88 KDM4E (0.49) KDM4EALDH1A1MAPTHIF1AGAA
SCHEMBL213102 0.88 MEN1 (0.47) KDM4EALDH1A1MAPTHIF1AGAA
SCHEMBL2735146 0.88 KDM4E (0.45) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL2735137 0.87 KDM4E (0.46) KDM4EALDH1A1MAPTHIF1AGAA

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 1288/4885ALDH1A1 3690/4885MAPT 1242/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 KDM4E 1288/4885ALDH1A1 3690/4885MAPT 1242/4885

“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.