SCHEMBL739635

SCHEMBL739635

CCCC#Cc1ccc2c(F)cccc2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.40
KCNH2 Q12809 3/20 0.40
TLR8 Q9NR97 1/20 0.40
MAPT P10636 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
PDE7A Q13946 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL739478 0.80 GRM5 (0.44) GRM5KCNH2PDE10APDE7ACYP2D6
SCHEMBL13668629 0.69 PDE10A (0.47) MAPTPDE10ACYSLTR2CYSLTR1PDE7A
SCHEMBL17955540 0.68 GRM5 (0.44) GRM5TLR8CYP2D6HRH3
SCHEMBL30081460 0.67 ALDH1A1 (0.51) PDE10APDE7AKDM4EALDH1A1
SCHEMBL2170379 0.67 ALDH1A1 (0.51) PDE10APDE7AKDM4EALDH1A1
SCHEMBL6664318 0.66 ADORA2A (0.38) KCNH2MAPTPDE10APDE7AKDM4E
SCHEMBL675115 0.66 CA5A (0.48) GRM5TLR8MAPTKDM4EALDH1A1
SCHEMBL678771 0.65 GPR3 (0.40) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL19602251 0.64 TLR8 (0.35) GRM5TLR8CYP2D6HRH3
SCHEMBL7207562 0.64 KCNH2 (0.50) GRM5KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP disclosed
US-8137821-B2 Substituted ethynyl gold-nitrogen containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same UBE INDUSTRIES, LTD. (JP) 2009-04-09 US disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 EP 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 (1 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-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 GRM5 1297/4885KCNH2 189/4885TLR8 3091/4885

“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.