SCHEMBL5617128

SCHEMBL5617128

CCOCc1nc2cnc3ccccc3c2n1CC1(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.43
TLR8 Q9NR97 8/20 0.43
NUDT1 P36639 1/20 0.43
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX5AP P20292 2/20 0.34
ATM Q13315 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
SCHEMBL5617020 0.95 TLR7 (0.41) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL5617070 0.91 TLR7 (0.43) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL5616953 0.91 TLR7 (0.41) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL1141273 0.90 TLR7 (0.40) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL5616950 0.87 TLR7 (0.41) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL1892074 0.85 TLR7 (0.44) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL1141430 0.85 TLR7 (0.41) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL5616924 0.85 SMN1; SMN2 (0.38) TLR7MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5148465 0.84 TLR7 (0.40) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL1141057 0.84 TLR7 (0.42) TLR7TLR8NUDT1MEN1KMT2A

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-8697873-B2 Amide substituted imidazopyridines, imidazoquinolines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-15 US disclosed
US-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2007-09-20 US disclosed
EP-1730143-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2006-12-13 EP disclosed
WO-2005094531-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-13 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-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES IL2, IL4, IFNG TLR7 123/4885TLR8 150/4885NUDT1 528/4885

“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.