SCHEMBL3867066

SCHEMBL3867066

CCOCc1nc2cnc3cc(Br)ccc3c2n1CCCCCl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.43
TLR8 Q9NR97 7/20 0.43
NUDT1 P36639 1/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.31
RAB9A P51151 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PDPK1 O15530 1/20 0.30
MAPT P10636 2/20 0.30

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
SCHEMBL3862272 0.99 TLR7 (0.42) TLR7TLR8NUDT1MEN1TSHR
SCHEMBL3862583 0.91 TLR8 (0.49) TLR7TLR8NUDT1
SCHEMBL3863559 0.91 TLR7 (0.44) TLR7TLR8NUDT1MEN1TSHR
SCHEMBL3863639 0.89 TLR7 (0.44) TLR7TLR8NUDT1MEN1TSHR
SCHEMBL3862492 0.88 TLR7 (0.40) TLR7TLR8
SCHEMBL3862140 0.88 TLR7 (0.39) TLR7TLR8
SCHEMBL2368651 0.86 TLR7 (0.43) TLR7TLR8NUDT1MEN1TSHR
SCHEMBL3867614 0.86 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL3862584 0.86 TLR7 (0.39) TLR7TLR8KMT2ARAB9ASMN1; SMN2
SCHEMBL3860856 0.85 TLR7 (0.39) TLR7TLR8

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 68/4885TLR8 220/4885NUDT1 648/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 68/4885TLR8 220/4885NUDT1 648/4885

“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.