SCHEMBL2735201

SCHEMBL2735201

N#Cc1c(N2CCN(c3ccccn3)CC2)nc(Cc2ccsc2)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
PDE9A O76083 1/20 0.40
GRM2 Q14416 1/20 0.39
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 5/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
PNP P00491 1/20 0.37
SMO Q99835 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD4 P21917 2/20 0.37
DRD2 P14416 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
SCHEMBL2735200 0.88 TNKS (0.42) ALDH1A1KMT2APDE9APARP1KDM4E
SCHEMBL212571 0.85 PNP (0.42) ALDH1A1MEN1RAB9AKMT2APDE9A
SCHEMBL214504 0.85 PNP (0.43) ALDH1A1MEN1KMT2ARXFP1PDE9A
SCHEMBL215931 0.85 ALDH1A1 (0.41) ALDH1A1RAB9AKMT2APDE9AKDM4E
SCHEMBL2735190 0.84 PNP (0.42) ALDH1A1MEN1KMT2APDE9AKDM4E
SCHEMBL2735202 0.84 ATM (0.53) ALDH1A1MEN1KMT2AABCC1ABCG2
SCHEMBL212290 0.83 PNP (0.42) ALDH1A1ABCC1PDE9AKDM4EPNP
SCHEMBL8286854 0.83 PNP (0.40) ALDH1A1MEN1RAB9AKMT2APDE9A
SCHEMBL213149 0.83 PNP (0.40) ALDH1A1MEN1KMT2ARXFP1PDE9A
SCHEMBL2735199 0.82 ALDH1A1 (0.42) ALDH1A1MEN1NPC1RAB9AKMT2A

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 10 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
WO-2006125554-A1 USE OF CYANOPYRIMIDINES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2006-11-30 WO disclosed
WO-2005068436-A1 6-AMINO-5-CYANO-PYRIMIDINE-4-ONES USED FOR IMPROVING PERCEPTION, POWER OF CONCENTRATION, LEARNING EFFICIENCY, AND/OR MEMORY POWER BAYER HEALTHCARE AG (DE) 2005-07-28 WO 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 ALDH1A1 3690/4885MEN1 2603/4885NPC1 955/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 ALDH1A1 3690/4885MEN1 2603/4885NPC1 955/4885

“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.