SCHEMBL1008796

SCHEMBL1008796

COc1ccc(CC(C)c2cnc3c(N)nc4cc(C=CC(=O)O)ccc4c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.48
GRM2 Q14416 9/20 0.43
ACHE P22303 1/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL1059384 1.00 TLR7 (0.48) TLR7GRM2ACHETHRBATM
SCHEMBL1703699 0.90 TLR7 (0.48) TLR7GRM2HDAC1HDAC2HDAC11
SCHEMBL1009183 0.88 TLR7 (0.46) TLR7GRM2
SCHEMBL11891212 0.87 TLR7 (0.64) TLR7GRM2
SCHEMBL1527519 0.87 TLR7 (0.64) TLR7GRM2
SCHEMBL16735809 0.86 TLR7 (0.45) TLR7GRM2
SCHEMBL1009149 0.84 TLR7 (0.53) TLR7GRM2
SCHEMBL1009607 0.83 TLR7 (0.46) TLR7GRM2
SCHEMBL1527462 0.83 TLR7 (0.65) TLR7GRM2
SCHEMBL1527588 0.83 TLR7 (0.65) TLR7GRM2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 EP claimed
US-8895577-B2 Compounds and compositions as TLR activity modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-11-25 US claimed
US-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-26 US claimed
US-8466167-B2 Compounds and compositions as TLR activity modulators IRM LLC (BM) 2013-06-18 US claimed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 US claimed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP claimed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 WO claimed
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-22 US disclosed
EP-2440245-B1 BENZONAPHTHYRIDINE-CONTAINING VACCINES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-12-06 EP disclosed
EP-2512478-B1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-04-19 EP disclosed
US-9597326-B2 Benzonapthyridine compositions and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-03-21 US disclosed
US-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-12-29 US disclosed
US-9517263-B2 Benzonaphthyridine-containing vaccines GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-12-13 US disclosed
US-20110280949-A1 MICROPARTICLES FOR USE IN IMMUNOGENIC COMPOSITIONS NOVARTIS AG (CH) 2011-11-17 US disclosed
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 WO disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 WO disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 US disclosed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 WO disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 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 (5 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-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 TLR7 3/4885GRM2 705/4885ACHE 3404/4885
US-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF CD14, ICOS, CD69 TLR7 45/4885GRM2 3401/4885ACHE 163/4885
US-20110280949-A1 MICROPARTICLES FOR USE IN IMMUNOGENIC COMPOSITIONS CD47, TLR9, CD74 TLR7 54/4885GRM2 592/4885ACHE 2199/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 TLR7 3/4885GRM2 705/4885ACHE 3404/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 TLR7 59/4885GRM2 4055/4885ACHE 2405/4885

“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.