SCHEMBL6702028

SCHEMBL6702028

Nc1nc2ccccc2c2c1ncn2CCOCc1cn(Cc2ccccc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 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
KCNH2 Q12809 1/20 0.47
CYP19A1 P11511 6/20 0.46
NCF1 P14598 4/20 0.46
HSP90AB1 P08238 3/20 0.45
TLR8 Q9NR97 2/20 0.39

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
Hydrochloric Acid SCHEMBL6704112 0.99 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
Hydrochloric Acid SCHEMBL7205066 0.91 TLR7 (0.39) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6700811 0.86 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6699123 0.82 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL2059407 0.80 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6698894 0.80 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6697494 0.80 TLR7 (0.47) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL7208649 0.79 TLR7 (0.39) TLR7LMNAPOLBHRH2ADRA1D
Hydrochloric Acid SCHEMBL6700826 0.79 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
Hydrochloric Acid SCHEMBL6699305 0.79 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D

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 5 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 claimed
US-6664260-B2 Viricides; anticarcinogneic agents; induction cytokine biosynthesis 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US claimed
EP-1339715-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-03 EP claimed
US-20030065005-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 US claimed
WO-2002046193-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO claimed

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 35/4885LMNA 3958/4885POLB 3364/4885
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 TLR7 35/4885LMNA 3958/4885POLB 3364/4885

“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.