SCHEMBL5617844

SCHEMBL5617844

CCCc1nc2cnc3ccccc3c2n1CCCC(C)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.45
GAA P10253 2/20 0.42
TLR8 Q9NR97 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PDE10A Q9Y233 1/20 0.38
HTT P42858 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
SCHEMBL4159656 0.94 TLR7 (0.49) TLR7GAATLR8LMNAHTT
SCHEMBL6053148 0.88 TLR7 (0.43) TLR7GAATLR8LMNAMAPT
SCHEMBL6053167 0.87 TLR7 (0.42) TLR7GAATLR8LMNAMAPT
SCHEMBL3173290 0.86 TLR7 (0.59) TLR7TLR8LMNAMAPTSMN1; SMN2
SCHEMBL5617910 0.85 PPARG (0.35) TLR7GAATLR8TSHR
SCHEMBL5618015 0.85 TLR7 (0.55) TLR7TLR8LMNAMAPTSMN1; SMN2
SCHEMBL5618843 0.85 TLR7 (0.41) TLR7GAATLR8LMNAMAPT
SCHEMBL5617119 0.84 TLR7 (0.45) TLR7GAATLR8LMNASMN1; SMN2
SCHEMBL5618682 0.84 TLR7 (0.40) TLR7GAATLR8LMNAMAPT
SCHEMBL5618101 0.84 TLR7 (0.48) TLR7TLR8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778963-B2 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-15 US disclosed
US-20070099901-A1 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-03 US disclosed
EP-1686992-A2 HYDROXYLAMINE AND OXIME SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2006-08-09 EP disclosed
WO-2005051324-A2 HYDROXYLAMINE AND OXIME SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-09 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-20070099901-A1 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines IFNG, IRF3, IDO1 TLR7 81/4885GAA 3130/4885TLR8 184/4885

“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.