SCHEMBL4529519

SCHEMBL4529519

CCCn1nc2c(N)nc3ccccc3c2c1NCCC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.47
TLR7 Q9NYK1 9/20 0.39
TLR8 Q9NR97 5/20 0.39
ACP1 P24666 2/20 0.38
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
SLC2A1 P11166 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
PDE5A O76074 1/20 0.34
FABP6 P51161 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
SCHEMBL5532872 0.86 TLR7 (0.39) NPY5RTLR7TLR8ACP1SLC2A1
SCHEMBL12667231 0.85 TLR7 (0.42) NPY5RTLR7TLR8SLC2A1
SCHEMBL1897847 0.85 NPY5R (0.47) NPY5RACP1ALDH1A1ABL1SRC
SCHEMBL1894853 0.83 TLR8 (0.38) NPY5RTLR7TLR8ALDH1A1
SCHEMBL12667230 0.77 TLR7 (0.47) TLR7TLR8
SCHEMBL1898506 0.76 SRC (0.36) NPY5RTLR7TLR8ACP1ABL1
SCHEMBL12667269 0.75 ADORA1 (0.47) TLR7TLR8BCHEACHE
SCHEMBL1898507 0.74 SRC (0.40) NPY5RACP1ABL1SRC
SCHEMBL12667267 0.74 TLR7 (0.48) TLR7TLR8
SCHEMBL1778758 0.74 TLR7 (0.37) TLR7TLR8ABL1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 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-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof IL4, IL2, IL1A NPY5R 2178/4885TLR7 93/4885TLR8 256/4885

“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.