SCHEMBL5617070

SCHEMBL5617070

CCOCc1nc2cnc3ccccc3c2n1CC1(C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.43
TLR8 Q9NR97 9/20 0.43
NUDT1 P36639 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 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
SCHEMBL5616950 0.95 TLR7 (0.41) TLR7TLR8NUDT1SMN1; SMN2RAB9A
SCHEMBL5617128 0.91 TLR7 (0.43) TLR7TLR8NUDT1SMN1; SMN2RAB9A
SCHEMBL5616953 0.90 TLR7 (0.41) TLR7TLR8NUDT1SMN1; SMN2RAB9A
SCHEMBL1141273 0.89 TLR7 (0.40) TLR7TLR8NUDT1SMN1; SMN2RAB9A
SCHEMBL5617020 0.87 TLR7 (0.41) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL5617035 0.85 TLR7 (0.36) TLR7TLR8SMN1; SMN2LMNAMEN1
SCHEMBL1892074 0.85 TLR7 (0.44) TLR7TLR8NUDT1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL1141255 0.84 TLR7 (0.44) TLR7TLR8NUDT1SMN1; SMN2RAB9A
SCHEMBL5616987 0.83 TLR7 (0.63) TLR7TLR8NUDT1
SCHEMBL5617238 0.83 TLR7 (0.39) TLR7TLR8LMNATSHR

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.