SCHEMBL5617822

SCHEMBL5617822

CCCn1c(COCC)nc2cnc3ccc(OCCN(C(=O)O)C(C)(C)C)cc3c21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TLR7 Q9NYK1 5/20 0.33
TLR8 Q9NR97 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NUDT1 P36639 1/20 0.33
ALOX5AP P20292 1/20 0.32
NMT1 P30419 1/20 0.32

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
SCHEMBL5618371 0.87 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL1486560 0.85 NMT1 (0.41) MAPTMEN1KMT2ALMNATLR7
SCHEMBL4239830 0.83 ACSS2 (0.39) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL5807421 0.82 MEN1 (0.37) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL5617608 0.81 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL2889187 0.80 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL4247184 0.80 TLR8 (0.45) MAPTTLR7TLR8
SCHEMBL6105519 0.79 TLR7 (0.42) TLR7TLR8NUDT1ALOX5AP
SCHEMBL1486756 0.79 NMT1 (0.44) MEN1KMT2ALMNANMT1
SCHEMBL1486668 0.79 TLR7 (0.40) MEN1KMT2ATLR7TLR8NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365567-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-14 US disclosed
US-8871782-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-10-28 US disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 US 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-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 MAPT 4571/4885POLB 1356/4885LRRK2 3943/4885

“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.