SCHEMBL1777014

SCHEMBL1777014

CCn1nc2c(N)nc3ccccc3c2c1CC1(O)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.36
TLR8 Q9NR97 8/20 0.36
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
HTR2C P28335 1/20 0.34
ADORA2A P29274 4/20 0.33
ADORA3 P0DMS8 3/20 0.33
ADORA1 P30542 2/20 0.33
NUDT1 P36639 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNH2 Q12809 1/20 0.32
NCF1 P14598 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
SCHEMBL1776510 0.91 TLR7 (0.38) TLR7TLR8HTR2AHTR2BADORA2A
SCHEMBL1775326 0.91 TLR7 (0.38) TLR7TLR8HTR2AHTR2BADORA2A
SCHEMBL1776490 0.90 TLR7 (0.38) TLR7TLR8HTR2AHTR2BADORA2A
SCHEMBL1776319 0.89 TLR7 (0.37) TLR7TLR8HTR2AHTR2BADORA2A
SCHEMBL1777954 0.88 TLR7 (0.39) TLR7TLR8ADORA2AADORA3ADORA1
SCHEMBL1777372 0.84 NCF1 (0.40) TLR7TLR8HTR2AHTR2CNCF1
SCHEMBL1777234 0.84 ALOX15 (0.35) TLR7TLR8HTR2AHTR2CLMNA
SCHEMBL1776731 0.82 TLR7 (0.42) TLR7TLR8ADORA2AADORA3ADORA1
SCHEMBL1777101 0.80 TLR7 (0.42) TLR7TLR8
SCHEMBL1776815 0.80 UTS2R (0.38) TLR7TLR8HTR2AHTR2C

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-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
EP-1863814-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) 2007-12-12 EP disclosed
WO-2006107851-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) 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-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 777/4885HTR2A 4036/4885

“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.