SCHEMBL2895018

SCHEMBL2895018

CCCCc1nc2c[n+]([O-])c3ccccc3c2n1CCCN(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.41
TLR8 Q9NR97 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL2892852 0.88 TLR7 (0.40) TLR7TLR8
SCHEMBL2894947 0.83 TLR7 (0.46) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL1951281 0.82 GAA (0.47) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL1951282 0.82 GAA (0.47) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL4165388 0.82 CNR1 (0.43) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL4152852 0.81 PDE4A (0.41) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL6414152 0.81 SMN1; SMN2 (0.36) TLR7
SCHEMBL5617629 0.80 TLR7 (0.42) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL1960054 0.80 TLR7 (0.42) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL5364616 0.80 TLR7 (0.48) TLR7CNR2LMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436178-B2 Imidazoquinolines with immuno-modulating properties ASTRAZENECA AB (SE) 2013-05-07 US 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 (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-20100280001-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES IFNG, FCGRT, IFNAR1 TLR7 267/4885TLR8 1392/4885PDE4A 1100/4885

“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.