SCHEMBL13272016

SCHEMBL13272016

CC(C)Cn1cnc2c(N)cc3ccccc3c21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.64
HTR2A P28223 3/20 0.64
PDE4D Q08499 2/20 0.64
POLB P06746 2/20 0.64
HTR2B P41595 2/20 0.64
LMNA P02545 1/20 0.64
HRH2 P25021 1/20 0.64
ADRA1D P25100 1/20 0.64
ADORA2A P29274 1/20 0.64
ADRA1A P35348 1/20 0.64
NUDT1 P36639 1/20 0.64
KCNH2 Q12809 1/20 0.64
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 2/20 0.41

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
SCHEMBL13250708 0.85 TLR7 (0.59) TLR7HTR2APDE4DPOLBHTR2B
SCHEMBL16509923 0.84 TLR7 (0.57) TLR7HTR2APDE4DPOLBHTR2B
SCHEMBL487383 0.83 TLR7 (0.50) TLR7HTR2APDE4DPOLBHTR2B
Imiquimod SCHEMBL29357252 0.78 TLR7 (1.00) TLR7HTR2APDE4DPOLBHTR2B
Imiquimod SCHEMBL570774 0.78 TLR7 (1.00) TLR7HTR2APDE4DPOLBHTR2B
Imiquimod SCHEMBL26136 0.78 TLR7 (1.00) TLR7HTR2APDE4DPOLBHTR2B
SCHEMBL10969308 0.78 ALDH1A1 (0.46) TLR7HTR2APDE4DPOLBHTR2B
Imiquimod SCHEMBL17962753 0.77 TLR7 (0.97) TLR7HTR2APDE4DPOLBHTR2B
Imiquimod SCHEMBL1301796 0.77 TLR7 (0.97) TLR7HTR2APDE4DPOLBHTR2B
SCHEMBL13250709 0.77 TLR7 (0.53) TLR7HTR2APDE4DPOLBHTR2B

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
EP-2928485-B1 HSP FOR USE IN TREATMENT FOR IMIQUIMOD RELATED SIDE EFFECTS ALFA BIOGENE INT B V (DE) 2018-04-04 EP disclosed
US-8080662-B2 Method of preparing 4-amino-1H-imidazo (4,5-c) quinolines and acid addition salts thereof TARO PHARMACEUTICALS U.S.A., INC. (US) 2011-12-20 US disclosed
US-20100184984-A1 METHOD OF PREPARING 4-AMINO-1H-IMIDAZO (4,5-C) QUINOLINES AND ACID ADDITION SALTS THEREOF TARO PHARMACEUTICALS U.S.A. (US) 2010-07-22 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 (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-20100184984-A1 METHOD OF PREPARING 4-AMINO-1H-IMIDAZO (4,5-C) QUINOLINES AND ACID ADDITION SALTS THEREOF PAH, IL4I1, H1-5 TLR7 458/4885HTR2A 485/4885PDE4D 988/4885

“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.