SCHEMBL1776500

SCHEMBL1776500

CCn1nc2c(N)nc3ccccc3c2c1CC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.49
TLR8 Q9NR97 5/20 0.46
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DHFR P00374 1/20 0.36
DCPS Q96C86 1/20 0.36
RET P07949 1/20 0.35

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
SCHEMBL1776461 0.92 TLR7 (0.50) TLR7TLR8PIK3CDPIK3R1PIK3CA
SCHEMBL1776377 0.87 TLR7 (0.50) TLR7TLR8PIK3CDPIK3R1PIK3CA
SCHEMBL1233300 0.81 TLR7 (0.48) TLR7TLR8
SCHEMBL1777582 0.79 TLR7 (0.38) TLR7TLR8KDM4EALDH1A1GLA
SCHEMBL4126730 0.79 TLR7 (0.41) TLR7TLR8
SCHEMBL1777954 0.79 TLR7 (0.39) TLR7TLR8KDM4EALDH1A1GLA
SCHEMBL5963494 0.79 TLR7 (0.45) TLR7TLR8
SCHEMBL1234300 0.78 TLR7 (0.43) TLR7TLR8
SCHEMBL5569543 0.78 TLR7 (0.44) TLR7TLR8
SCHEMBL1232719 0.78 TLR7 (0.47) TLR7TLR8

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-7943636-B2 1-substituted pyrazolo (3,4-C) ring compounds as modulators of cytokine biosynthesis for the treatment of viral infections and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-7943636-B2 1-substituted pyrazolo (3,4-C) ring compounds as modulators of cytokine biosynthesis for the treatment of viral infections and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-7943636-B2 1-substituted pyrazolo (3,4-C) ring compounds as modulators of cytokine biosynthesis for the treatment of viral infections and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-25 US disclosed
US-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-25 US disclosed
US-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-25 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-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases IL2, IL4, IFNG TLR7 170/4885TLR8 777/4885PIK3CD 1595/4885

“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.