SCHEMBL3168166

SCHEMBL3168166

CCOCc1nc2cnc3ccccc3c2n1CCCCO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.46
TLR7 Q9NYK1 9/20 0.45
ALDH1A1 P00352 1/20 0.45
NUDT1 P36639 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MPO P05164 2/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4792464 0.97 TLR7 (0.48) TLR8TLR7ALDH1A1NUDT1MEN1
SCHEMBL6099996 0.93 TLR8 (0.49) TLR8TLR7ALDH1A1NUDT1MEN1
SCHEMBL6105237 0.92 TLR8 (0.48) TLR8TLR7ALDH1A1NUDT1MEN1
SCHEMBL4308938 0.90 TLR8 (0.47) TLR8TLR7ALDH1A1NUDT1MEN1
SCHEMBL8326936 0.89 TLR8 (0.53) TLR8TLR7NUDT1MEN1KMT2A
SCHEMBL4319537 0.89 TLR8 (0.48) TLR8TLR7NUDT1MEN1KMT2A
SCHEMBL4313003 0.89 TLR8 (0.46) TLR8TLR7ALDH1A1NUDT1MEN1
SCHEMBL5616943 0.87 TLR8 (0.46) TLR8TLR7NUDT1MEN1KMT2A
SCHEMBL4307950 0.87 TLR7 (0.49) TLR8TLR7ALDH1A1MEN1KMT2A
SCHEMBL6723768 0.87 TLR8 (0.48) TLR8TLR7ALDH1A1NUDT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
US-7648997-B2 Immunomodulators for inducing cytokine biosynthesis, for treatment of diseases including viral and neoplastic diseases; 1-[3-(Aminooxy)propyl]-2-propyl-1H-imidazo[4,5-c]quinolin-4-amine; N-[3-(4-Amino-2-propyl-1H-imidazo[4,5-c]quinolin-1-yl)propoxy]cyclopropanecarboxamide COLEY PHARMACEUTICAL GROUP, INC. (US) 2010-01-19 US disclosed
EP-1653955-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-29 EP disclosed
US-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-05-15 US disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
EP-1653955-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
WO-2005018556-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 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-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines IFNG, IRF3, IL2 TLR8 177/4885TLR7 93/4885ALDH1A1 513/4885
US-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 TLR8 139/4885TLR7 69/4885ALDH1A1 1370/4885

“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.