SCHEMBL1006508

SCHEMBL1006508

COc1cnc2c(N)nc3ccccc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.53
ADORA3 P0DMS8 4/20 0.53
ADORA1 P30542 4/20 0.53
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
CLK1 P49759 1/20 0.44
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 3/20 0.42
APP P05067 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
ACACA Q13085 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1058946 0.85 ADORA2A (0.42) ADORA2AADORA3ADORA1CLK1TLR8
SCHEMBL12288351 0.82 TLR8 (0.51) TLR8TLR7NPC1RAB9AKDM4E
SCHEMBL1007823 0.82 TLR7 (0.54) ADORA2AADORA3ADORA1TLR7APP
SCHEMBL1006404 0.82 PDGFRB (0.47) ADORA2AADORA3ADORA1CLK1RAB9A
SCHEMBL1060256 0.80 ADORA2A (0.52) ADORA2AADORA3ADORA1CYP1A1CYP1A2
SCHEMBL1060260 0.80 ADORA2A (0.52) ADORA2AADORA3ADORA1CYP1A1CYP1A2
SCHEMBL1006729 0.80 TLR7 (0.52) ADORA2AADORA3ADORA1TLR7APP
SCHEMBL1064643 0.80 ADORA2A (0.49) ADORA2AADORA3ADORA1CYP1A1CYP1A2
SCHEMBL1007183 0.79 TLR7 (0.56) ADORA2AADORA3ADORA1TLR7APP
SCHEMBL1010176 0.78 ADORA2A (0.46) ADORA2AADORA3ADORA1CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-9597326-B2 Benzonapthyridine compositions and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-03-21 US 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-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-12-29 US disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 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
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 US 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-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
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 (3 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-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF CD14, ICOS, CD69 ADORA2A 1019/4885ADORA3 3425/4885ADORA1 2703/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 ADORA2A 596/4885ADORA3 225/4885ADORA1 437/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 ADORA2A 1832/4885ADORA3 2753/4885ADORA1 3809/4885

“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.