SCHEMBL4524602

SCHEMBL4524602

CC(C)Cn1cnc2c(N)nc3ccc(CCO)cc3c21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.65
PDE4D Q08499 2/20 0.65
LMNA P02545 1/20 0.65
POLB P06746 1/20 0.65
HRH2 P25021 1/20 0.65
ADRA1D P25100 1/20 0.65
HTR2A P28223 1/20 0.65
ADORA2A P29274 1/20 0.65
ADRA1A P35348 1/20 0.65
NUDT1 P36639 1/20 0.65
HTR2B P41595 1/20 0.65
KCNH2 Q12809 1/20 0.65
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
TLR8 Q9NR97 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
MAP4K4 O95819 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL3863511 0.89 TLR7 (0.72) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3864348 0.87 TLR7 (0.69) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3864155 0.87 TLR7 (0.63) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3862504 0.84 TLR7 (0.73) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL13984385 0.83 TLR7 (0.71) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL15911860 0.83 TLR7 (0.67) TLR7PDE4DLMNAPOLBHRH2
Hydrochloric Acid SCHEMBL4753882 0.82 TLR7 (0.70) TLR7PDE4DLMNAPOLBHRH2
Water SCHEMBL10743574 0.82 TLR7 (0.70) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL4755392 0.82 TLR7 (0.70) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3861421 0.82 TLR7 (0.70) TLR7PDE4DLMNAPOLBHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US disclosed
US-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US disclosed
US-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US disclosed
US-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines COLEY PHARMACEUTIAL GROUP, INC. (NY) 2009-04-16 US disclosed
US-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines COLEY PHARMACEUTIAL GROUP, INC. (NY) 2009-04-16 US disclosed
US-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines COLEY PHARMACEUTIAL GROUP, INC. (NY) 2009-04-16 US disclosed
EP-1845988-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-10-24 EP disclosed
WO-2006091394-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 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 (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-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines IL2, EIF2AK2, IFNG TLR7 35/4885PDE4D 2466/4885LMNA 4221/4885

“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.