SCHEMBL3867965

SCHEMBL3867965

CC(C)Cn1cnc2cnc3cc(Br)ccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.42
POLB P06746 2/20 0.42
PDE4D Q08499 2/20 0.42
LMNA P02545 2/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
ADORA2A P29274 1/20 0.42
ADRA1A P35348 1/20 0.42
NUDT1 P36639 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
MCL1 Q07820 1/20 0.39
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
USP7 Q93009 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
NPC1 O15118 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
SCHEMBL6923275 0.81 MCL1 (0.51) POLBLMNAMCL1USP7NPC1
SCHEMBL564029 0.80 TLR7 (0.59) TLR7POLBPDE4DLMNAHRH2
SCHEMBL29379266 0.80 TLR7 (0.59) TLR7POLBPDE4DLMNAHRH2
SCHEMBL4530388 0.79 TLR7 (0.44) TLR7LMNAMCL1USP7PTGES
Ammonia Solution, Strong SCHEMBL4818558 0.79 TLR7 (0.58) TLR7POLBPDE4DLMNAHRH2
Hydrochloric Acid SCHEMBL5435065 0.79 TLR7 (0.58) TLR7POLBPDE4DLMNAHRH2
Hydrochloric Acid SCHEMBL9602331 0.78 TLR7 (0.56) TLR7POLBPDE4DLMNAHRH2
SCHEMBL3869959 0.77 TLR7 (0.70) TLR7POLBPDE4DLMNAHRH2
SCHEMBL9601680 0.77 POLB (0.46) TLR7POLBPDE4DLMNAHRH2
SCHEMBL10587419 0.76 HDAC6 (0.46) TLR7POLBPDE4DLMNAHRH2

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 68/4885POLB 1647/4885PDE4D 2699/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 68/4885POLB 1647/4885PDE4D 2699/4885

“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.