SCHEMBL3864162

SCHEMBL3864162

CC(C)Cn1cnc2c(N)nc3ccc(/C=C/c4ccncc4)cc3c21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.60
PDE4D Q08499 2/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
HRH2 P25021 1/20 0.60
ADRA1D P25100 1/20 0.60
HTR2A P28223 1/20 0.60
ADORA2A P29274 1/20 0.60
ADRA1A P35348 1/20 0.60
NUDT1 P36639 1/20 0.60
HTR2B P41595 1/20 0.60
KCNH2 Q12809 1/20 0.60
IP6K1 Q92551 2/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
AKT1 P31749 3/20 0.33
CDC7 O00311 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33

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
SCHEMBL3864164 1.00 TLR7 (0.60) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3862599 0.92 TLR7 (0.69) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3862600 0.92 TLR7 (0.69) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3862220 0.88 TLR7 (0.59) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3862226 0.88 TLR7 (0.59) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL4539881 0.85 TLR7 (0.65) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL4524701 0.85 TLR7 (0.65) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3861219 0.84 TLR7 (0.71) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3861221 0.84 TLR7 (0.71) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3864155 0.83 TLR7 (0.63) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 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 (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-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 TLR7 68/4885PDE4D 2699/4885LMNA 4453/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 68/4885PDE4D 2699/4885LMNA 4453/4885

“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.