SCHEMBL5532872

SCHEMBL5532872

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.39
TLR8 Q9NR97 4/20 0.39
NPY5R Q15761 1/20 0.39
ACP1 P24666 2/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
NCF1 P14598 1/20 0.37
TGFBR1 P36897 4/20 0.36
SLC2A1 P11166 1/20 0.36
BTK Q06187 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1894853 0.90 TLR8 (0.38) TLR7TLR8NPY5R
SCHEMBL4529519 0.86 NPY5R (0.47) TLR7TLR8NPY5RACP1SLC2A1
SCHEMBL12667231 0.85 TLR7 (0.42) TLR7TLR8NPY5RSLC2A1
SCHEMBL4534637 0.85 JAK1 (0.40) NPY5RACP1JAK1JAK3NCF1
SCHEMBL12667230 0.77 TLR7 (0.47) TLR7TLR8
SCHEMBL1894483 0.76 TGFBR1 (0.37) TLR8JAK1JAK3TGFBR1KCNH2
SCHEMBL12667269 0.75 ADORA1 (0.47) TLR7TLR8
SCHEMBL1894485 0.74 TGFBR1 (0.39) JAK1JAK3TGFBR1KCNH2
SCHEMBL12667267 0.74 TLR7 (0.48) TLR7TLR8
SCHEMBL12667266 0.71 TLR7 (0.46) TLR7TLR8KCNH2

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 6 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
EP-1869043-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-26 EP disclosed
WO-2006107853-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO 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 TLR7 93/4885TLR8 256/4885NPY5R 2178/4885

“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.