SCHEMBL6704816

SCHEMBL6704816

Nc1nc2ccccc2c2c1ncn2CCOCC#Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.47
KCNH2 Q12809 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HRH2 P25021 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
ADORA2A P29274 1/20 0.47
ADRA1A P35348 1/20 0.47
NUDT1 P36639 1/20 0.47
HTR2B P41595 1/20 0.47
PDE4D Q08499 1/20 0.47
TLR8 Q9NR97 2/20 0.36
CYP2A6 P11509 4/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2B6 P20813 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2E1 P05181 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 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
SCHEMBL6104248 0.91 TLR7 (0.53) TLR7KCNH2LMNAPOLBHRH2
Hydrochloric Acid SCHEMBL6104085 0.90 TLR7 (0.52) TLR7KCNH2LMNAPOLBHRH2
SCHEMBL6700269 0.90 TLR7 (0.49) TLR7KCNH2LMNAPOLBHRH2
SCHEMBL6699137 0.85 TLR7 (0.51) TLR7KCNH2LMNAPOLBHRH2
SCHEMBL6700101 0.84 TLR7 (0.47) TLR7KCNH2LMNAPOLBHRH2
SCHEMBL6105480 0.84 TLR7 (0.47) TLR7KCNH2LMNAPOLBHRH2
SCHEMBL6699310 0.84 TLR7 (0.49) TLR7KCNH2LMNAPOLBHRH2
SCHEMBL6698406 0.83 TLR7 (0.47) TLR7KCNH2LMNAPOLBHRH2
SCHEMBL6106604 0.83 TLR7 (0.48) TLR7KCNH2LMNAPOLBHRH2
Trifluoroacetic Acid SCHEMBL6699246 0.83 TLR7 (0.46) TLR7KCNH2LMNAPOLBHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-04-15 US disclosed
US-6664260-B2 Viricides; anticarcinogneic agents; induction cytokine biosynthesis 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
US-20030065005-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 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-20030065005-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 TLR7 35/4885KCNH2 3875/4885LMNA 3958/4885
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 TLR7 35/4885KCNH2 3875/4885LMNA 3958/4885

“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.