SCHEMBL1776547

SCHEMBL1776547

CCn1nc2c(N)nc3ccccc3c2c1CC1(F)CCN(S(C)(=O)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
TLR7 Q9NYK1 5/20 0.34
TLR8 Q9NR97 2/20 0.34
CYP2D6 P10635 5/20 0.33
ALOX15 P16050 2/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 2/20 0.33
HIF1A Q16665 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
GBA1 P04062 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1778758 0.94 TLR7 (0.37) KDM1ATLR7TLR8CYP2D6ALOX15
SCHEMBL1777234 0.89 ALOX15 (0.35) TLR7TLR8CYP2D6ALOX15CYP2C9
SCHEMBL1777278 0.89 KDM1A (0.38) KDM1ATLR7TLR8CYP2D6ALOX15
SCHEMBL1776616 0.85 NCF1 (0.39) TLR7TLR8CYP2D6HIF1AMMP2
SCHEMBL1777582 0.84 TLR7 (0.38) TLR7TLR8KDM4EALDH1A1GLA
SCHEMBL1776456 0.81 CYP3A4 (0.38) CYP2D6CYP2C9CYP1A2ALDH1A1HPGD
SCHEMBL1232672 0.77 TLR7 (0.40) TLR7TLR8
SCHEMBL1775326 0.76 TLR7 (0.38) TLR7TLR8
SCHEMBL1776510 0.76 TLR7 (0.38) TLR7TLR8
SCHEMBL1233300 0.76 TLR7 (0.48) 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-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
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 KDM1A 3726/4885TLR7 170/4885TLR8 777/4885

“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.