SCHEMBL336059

SCHEMBL336059

COc1ccc2c(n1)NC(=O)CN2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
BTK Q06187 1/20 0.35
ALOX5 P09917 1/20 0.35
OPRL1 P41146 2/20 0.34
LCAT P04180 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL4314874 0.87 XIAP (0.47) DDB1CRBNCYP11B1CYP11B2MEN1
SCHEMBL13213484 0.80 HPGD (0.40) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL12680341 0.78 XIAP (0.38) CRBNCYP11B1CYP11B2XIAPBIRC2
SCHEMBL12066730 0.75 CYP11B1 (0.38) CYP11B1CYP11B2MAPTKMT2AXIAP
SCHEMBL12942010 0.74 CRBN (0.34) DDB1CRBNCYP11B1CYP11B2XIAP
SCHEMBL335438 0.72 DRD2 (0.49) DDB1CRBNPDE3BPDE3ADRD2
SCHEMBL12116744 0.72 DDB1 (0.35) DDB1CRBNPDE3BPDE3AALOX5
SCHEMBL30441235 0.72 CYP1A2 (0.35) DDB1CRBNCYP11B1CYP11B2MAPT
SCHEMBL1432673 0.71 BTK (0.35) DDB1CRBNMEN1NPC1HSP90AA1
SCHEMBL6073595 0.70 PDE3B (0.44) DDB1CRBNCYP11B1CYP11B2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2022-01-25 US disclosed
US-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-22 US disclosed
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-07 US disclosed
EP-3639824-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP disclosed
EP-3182973-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE IP DEV LTD (GB) 2019-09-18 EP disclosed
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
EP-3182973-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-06-28 EP disclosed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
US-20100137282-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141399-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 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 (7 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-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 DDB1 2430/4885CRBN 3673/4885CYP11B1 486/4885
US-20100137282-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS ZYX, NRDC, NAA50 DDB1 313/4885CRBN 2331/4885CYP11B1 3255/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE DDB1 1664/4885CRBN 4406/4885CYP11B1 362/4885
US-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH DDB1 1158/4885CRBN 2279/4885CYP11B1 2466/4885
US-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB DDB1 4387/4885CRBN 3058/4885CYP11B1 7/4885
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GMPS, GNE, DHPS DDB1 1422/4885CRBN 3819/4885CYP11B1 845/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 DDB1 2430/4885CRBN 3673/4885CYP11B1 486/4885

“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.