SCHEMBL2735148

SCHEMBL2735148

Cc1cccc(Cc2nc(N3CCCC(CO)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
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
PDE9A O76083 1/20 0.43
KHK P50053 2/20 0.42
DGAT2 Q96PD7 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSB P07858 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
BRD4 O60885 1/20 0.38
JAK2 O60674 3/20 0.37
TYK2 P29597 3/20 0.37
IRAK1 P51617 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37

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 0.89 KDM4E (0.45) KDM4EALDH1A1PDE9ADGAT2HPGD
SCHEMBL2735147 0.88 KDM4E (0.46) KDM4EALDH1A1PDE9ADGAT2HPGD
SCHEMBL2735151 0.86 KDM4E (0.53) KDM4EALDH1A1POLBPDE9ACTSS
SCHEMBL2735160 0.85 KDM4E (0.47) KDM4EALDH1A1PDE9ADGAT2CTSS
SCHEMBL2735145 0.85 KDM4E (0.52) KDM4EALDH1A1POLBPDE9ACTSS
SCHEMBL214447 0.84 PDE9A (0.59) KDM4EALDH1A1POLBPDE9ACTSS
SCHEMBL213901 0.84 KDM4E (0.45) KDM4EALDH1A1PDE9ADGAT2CTSS
SCHEMBL2735149 0.83 KDM4E (0.48) KDM4EALDH1A1POLBPDE9ACTSS
SCHEMBL2735144 0.82 KDM4E (0.49) KDM4EALDH1A1POLBPDE9ACTSS
SCHEMBL2735143 0.82 KDM4E (0.48) KDM4EALDH1A1POLBPDE9ACTSS

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 3690/4885POLB 4007/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 KDM4E 1288/4885ALDH1A1 3690/4885POLB 4007/4885

“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.