SCHEMBL1898044

SCHEMBL1898044

CCCn1nc2c(N)nc3c(CC)cccc3c2c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.42
TLR7 Q9NYK1 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ELANE P08246 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GRM2 Q14416 1/20 0.33
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SRC P12931 2/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL1901666 0.87 ADORA2A (0.41) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL1900995 0.86 HSP90AB1 (0.43) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL1896699 0.82 CASR (0.37) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL1898043 0.82 ELANE (0.43) TLR8TLR7ELANEMAPTTSHR
SCHEMBL1898389 0.80 TLR7 (0.52) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL1897133 0.80 SLC6A4 (0.43) TLR7SRC
Hydrochloric Acid SCHEMBL1897933 0.79 SLC6A4 (0.45) TLR8TLR7SRC
SCHEMBL1894485 0.79 TGFBR1 (0.39) SRC
SCHEMBL1900994 0.73 TLR8 (0.39) TLR8TLR7ADORA3ADORA2AELANE
SCHEMBL1901663 0.72 TLR8 (0.44) TLR8TLR7ADORA3ADORA2AADORA1

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-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
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 TLR8 256/4885TLR7 93/4885ADORA3 605/4885

“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.