SCHEMBL1055632

SCHEMBL1055632

CC(C)(C)OC(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.45
LIPE Q05469 3/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
CCR2 P41597 3/20 0.36
PTGER1 P34995 1/20 0.36
IDO1 P14902 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
SCHEMBL1063614 0.90 LIPE (0.49) AAK1LIPEHSP90AA1HSP90AB1PRMT5
SCHEMBL1062259 0.88 AAK1 (0.43) AAK1LIPEPRMT5WDR77
SCHEMBL1063815 0.85 KCNQ4 (0.41) AAK1LIPEPRMT5WDR77
SCHEMBL1063335 0.84 AAK1 (0.45) AAK1LIPEPRMT5WDR77
SCHEMBL8221807 0.83 AAK1 (0.41) AAK1LIPEHSP90AA1HSP90AB1PRMT5
SCHEMBL1057040 0.83 LIPE (0.46) AAK1LIPEPRMT5WDR77
SCHEMBL34473719 0.83 AAK1 (0.42) AAK1LIPEPRMT5WDR77
SCHEMBL1060280 0.82 AAK1 (0.39) AAK1PRMT5WDR77
SCHEMBL1057963 0.82 HTT (0.43) AAK1SIRT2
SCHEMBL30381517 0.82 AAK1 (0.41) AAK1PRMT5WDR77SIRT2SIRT1

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 23 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-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-9408907-B2 Homogenous suspension of immunopotentiating compounds and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-08-09 US disclosed
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 EP disclosed
US-8895577-B2 Compounds and compositions as TLR activity modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-11-25 US disclosed
US-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-26 US disclosed
EP-2558069-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF Novartis AG (CH) 2013-02-20 EP disclosed
EP-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 EP disclosed
US-20120263753-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2012-10-18 US disclosed
EP-2440245-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES Novartis AG (CH) 2012-04-18 EP 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 AAK1 2372/4885LIPE 3418/4885HSP90AA1 3777/4885
US-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF CD14, ICOS, CD69 AAK1 2930/4885LIPE 1074/4885HSP90AA1 1164/4885
US-20120263753-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES LY96, TLR3, GABRA4 AAK1 3511/4885LIPE 2856/4885HSP90AA1 1586/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 AAK1 2372/4885LIPE 3418/4885HSP90AA1 3777/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 AAK1 3211/4885LIPE 2341/4885HSP90AA1 192/4885

“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.