SCHEMBL13312480

SCHEMBL13312480

CN1CCN(c2ccc3c(NCCN4CCOCC4)nc(-c4ccccc4)nc3c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 10/20 0.84
USP2 O75604 5/20 0.65
ALOX15 P16050 3/20 0.65
HSD17B10 Q99714 3/20 0.65
ACP1 P24666 1/20 0.64
TSHR P16473 4/20 0.63
MAPK1 P28482 4/20 0.63
TP53 P04637 2/20 0.63
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 2/20 0.62
CYP1A2 P05177 5/20 0.62
CYP3A4 P08684 5/20 0.62
CYP2D6 P10635 5/20 0.62
LMNA P02545 3/20 0.62
CYP2C19 P33261 3/20 0.62
CLK4 Q9HAZ1 3/20 0.62
ALDH1A1 P00352 2/20 0.62
HBB P68871 1/20 0.62

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
SCHEMBL14095300 0.91 TLR9 (1.00) TLR9USP2ALOX15HSD17B10ACP1
SCHEMBL14259846 0.90 TLR9 (0.68) TLR9USP2ALOX15HSD17B10ACP1
SCHEMBL1085597 0.84 ACP1 (0.87) TLR9USP2ALOX15HSD17B10ACP1
SCHEMBL12175518 0.83 TLR9 (1.00) TLR9USP2ALOX15HSD17B10TSHR
SCHEMBL29360163 0.83 TLR9 (1.00) TLR9USP2ALOX15HSD17B10TSHR
SCHEMBL1085510 0.83 ACP1 (0.70) TLR9USP2ALOX15HSD17B10ACP1
SCHEMBL13312485 0.83 ACP1 (0.70) TLR9USP2ALOX15HSD17B10ACP1
SCHEMBL13312422 0.80 TLR9 (0.58) TLR9ACP1KMT2ALMNA
SCHEMBL14233114 0.79 TLR9 (0.68) TLR9USP2ALOX15HSD17B10ACP1
SCHEMBL1085859 0.78 ACP1 (0.71) TLR9USP2ALOX15HSD17B10ACP1

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-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 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-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 TLR9, TLR3, TLR1 TLR9 1/4885USP2 4571/4885ALOX15 1984/4885

“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.