SCHEMBL2894935

SCHEMBL2894935

CCCCC(=O)OCCCn1c(CCCC)nc2cnc3ccccc3c21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.49
TLR8 Q9NR97 1/20 0.44
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
TOP2A P11388 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL5617063 0.90 FAAH (0.48) TLR7TLR8GAAHTTTOP2A
SCHEMBL1960247 0.89 TLR7 (0.47) TLR7TLR8GAAHTTPDE4A
SCHEMBL4158992 0.86 TNF (0.48) TLR7GAATOP2ALMNASMN1; SMN2
SCHEMBL4147393 0.85 FAAH (0.48) TLR7GAATOP2ASMN1; SMN2CNR1
SCHEMBL4165503 0.85 TLR7 (0.49) TLR7TLR8GAAHTTPDE4A
SCHEMBL4138665 0.84 FAAH (0.50) TLR7TOP2ASMN1; SMN2
SCHEMBL4011233 0.84 FAAH (0.50) TLR7TOP2ASMN1; SMN2
SCHEMBL5616965 0.84 TLR7 (0.52) TLR7TLR8GAAHTTPDE4A
SCHEMBL5616925 0.83 TLR7 (0.48) TLR7
SCHEMBL2897450 0.83 TLR7 (0.43) TLR7TLR8GAAHTTTOP2A

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-20130225555-A1 Imidazoquinolines with Immuno-Modulating Properties DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-29 US disclosed
US-8436178-B2 Imidazoquinolines with immuno-modulating properties ASTRAZENECA AB (SE) 2013-05-07 US disclosed
EP-2155743-B1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES ASTRAZENECA AB (SE) 2012-08-29 EP disclosed
US-20100280001-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2010-11-04 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 (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-20100280001-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES IFNG, FCGRT, IFNAR1 TLR7 267/4885TLR8 1392/4885GAA 4117/4885
US-20130225555-A1 Imidazoquinolines with Immuno-Modulating Properties IFNG, FCGRT, IFNAR1 TLR7 267/4885TLR8 1392/4885GAA 4117/4885

“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.