SCHEMBL2735147

SCHEMBL2735147

Cc1cccc(Cc2nc(N3CCCC(C)C3)c(C#N)c(=O)[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
DGAT2 Q96PD7 1/20 0.40
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE9A O76083 1/20 0.40
TP53 P04637 1/20 0.39
LRRK2 Q5S007 5/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
BRD4 O60885 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
CCNE2 O96020 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
SCHEMBL2735146 0.90 KDM4E (0.45) KDM4EDGAT2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2735144 0.89 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL2735148 0.88 KDM4E (0.46) KDM4EDGAT2ALDH1A1PDE9AJAK2
SCHEMBL2735151 0.88 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1PDE9A
SCHEMBL2735145 0.87 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL2735160 0.86 KDM4E (0.47) KDM4EDGAT2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2735149 0.84 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2735143 0.84 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2LMNAPDE9A
SCHEMBL2735142 0.81 KDM4E (0.52) KDM4EPDE9ABRD4TSHRCCNE2
SCHEMBL214447 0.81 PDE9A (0.59) KDM4EALDH1A1SMN1; SMN2MAPTLMNA

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 1288/4885DGAT2 4853/4885ALDH1A1 3690/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 KDM4E 1288/4885DGAT2 4853/4885ALDH1A1 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.