SCHEMBL1010293

SCHEMBL1010293

Nc1ccc2c(c1)nc(N)c1ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HSP90AB1 P08238 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
ATM Q13315 1/20 0.49
DHFR P00374 1/20 0.44
MDM4 O15151 1/20 0.42
LMNA P02545 3/20 0.41
PRMT5 O14744 1/20 0.40
PDPK1 O15530 1/20 0.40
CCR1 P32246 2/20 0.39
CCR8 P51685 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL1061674 0.83 MEN1 (0.50) HSP90AA1ALDH1A1HSP90AB1KDM4EMAPT
SCHEMBL1008478 0.83 ALDH1A1 (0.50) HSP90AA1ALDH1A1DHFRLMNAPRMT5
SCHEMBL1063892 0.83 ADORA2A (0.45) HSP90AA1ALDH1A1HSP90AB1KDM4EMAPT
SCHEMBL1008420 0.83 NR4A2 (0.50) ALDH1A1DHFRCCR1CCR8L3MBTL1
SCHEMBL1059574 0.82 DHFR (0.53) ALDH1A1KDM4EMAPTHTTTP53
SCHEMBL1007828 0.81 ROCK1 (0.50) HSP90AA1ALDH1A1HSP90AB1DHFRLMNA
SCHEMBL1007450 0.81 DHFR (0.56) ALDH1A1DHFRACHE
SCHEMBL1008498 0.80 TLR7 (0.46) HSP90AA1ALDH1A1HSP90AB1KDM4EMAPT
SCHEMBL1007644 0.80 KDM4E (0.41) HSP90AA1ALDH1A1HSP90AB1KDM4EMAPT
SCHEMBL1007795 0.80 DHFR (0.39) HSP90AA1ALDH1A1HSP90AB1KDM4EMAPT

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 56 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-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-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-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-2010017330-A1 MICROPARTICLES FOR USE IN IMMUNOGENIC COMPOSITIONS NOVARTIS AG (CH) 2010-02-11 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 (2 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-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 HSP90AA1 3777/4885ALDH1A1 4772/4885HSP90AB1 3637/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 HSP90AA1 192/4885ALDH1A1 4543/4885HSP90AB1 149/4885

“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.