SCHEMBL2735181

SCHEMBL2735181

N#Cc1c(NC2CCCC2)nc(Cc2ccccc2F)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 8/20 0.45
CHRM5 P08912 1/20 0.42
CX3CR1 P49238 1/20 0.42
PDE9A O76083 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
BRD4 O60885 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 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
SCHEMBL2735183 0.96 CXCR2 (0.45) CXCR2CHRM5CX3CR1PDE9AALDH1A1
SCHEMBL2735182 0.91 CXCR2 (0.42) CXCR2CHRM5CX3CR1PDE9AADORA3
SCHEMBL8284876 0.88 PDE9A (0.41) CXCR2CHRM5CX3CR1PDE9AKDM4E
SCHEMBL2735164 0.88 PDE9A (0.47) CXCR2PDE9AKDM4EALDH1A1HPGD
SCHEMBL2735243 0.88 CXCR2 (0.39) CXCR2PDE9AKDM4EALDH1A1HPGD
SCHEMBL2735163 0.88 PDE9A (0.48) CXCR2PDE9AKDM4EALDH1A1HPGD
SCHEMBL2735242 0.87 PDE9A (0.41) CXCR2PDE9AKDM4EALDH1A1HPGD
SCHEMBL2735232 0.86 PDE9A (0.45) CXCR2CHRM5CX3CR1PDE9AKDM4E
SCHEMBL2735238 0.86 HSD11B1 (0.45) PDE9AKDM4EALDH1A1HPGDGAA
SCHEMBL2735231 0.85 PDE9A (0.44) CXCR2PDE9AKDM4EALDH1A1HPGD

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 CXCR2 1300/4885CHRM5 13/4885CX3CR1 262/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 CXCR2 1300/4885CHRM5 13/4885CX3CR1 262/4885

“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.