SCHEMBL336118

SCHEMBL336118

NC1CCN(CC2Cn3c(=O)ccc4ncc(=O)n2c43)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.55
PIM1 P11309 1/20 0.34
MTOR P42345 10/20 0.33
KCNH2 Q12809 1/20 0.33
FKBP1A P62942 1/20 0.32
FKBP1B P68106 1/20 0.32
PRKDC P78527 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
FLT3 P36888 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL335505 1.00 TOP2A (0.55) TOP2APIM1MTORKCNH2FKBP1A
SCHEMBL335558 1.00 TOP2A (0.55) TOP2APIM1MTORKCNH2FKBP1A
Hydrochloric Acid SCHEMBL3328648 0.99 TOP2A (0.54) TOP2APIM1MTORKCNH2FKBP1A
SCHEMBL335515 0.95 TOP2A (0.51) TOP2APIM1MTORKCNH2FKBP1A
SCHEMBL12746439 0.95 TOP2A (0.51) TOP2APIM1MTORKCNH2FKBP1A
Hydrochloric Acid SCHEMBL3332266 0.94 TOP2A (0.50) TOP2APIM1MTORKCNH2FKBP1A
SCHEMBL910487 0.91 TOP2A (0.47) TOP2APIM1MTORKCNH2FKBP1A
Hydrochloric Acid SCHEMBL910828 0.90 TOP2A (0.46) TOP2APIM1MTORKCNH2FKBP1A
SCHEMBL3725589 0.86 TOP2A (0.43) TOP2APIM1MTORFKBP1AFKBP1B
SCHEMBL910186 0.86 TOP2A (0.43) TOP2APIM1MTORFKBP1AFKBP1B

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 28 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
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
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
EP-2137196-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-06 EP disclosed
US-20100137282-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
EP-2137196-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP 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-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-2009141399-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS 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 (6 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 TOP2A 376/4885PIM1 4773/4885MTOR 1753/4885
US-20100137282-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS ZYX, NRDC, NAA50 TOP2A 85/4885PIM1 3651/4885MTOR 651/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE TOP2A 46/4885PIM1 4866/4885MTOR 4489/4885
US-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB TOP2A 838/4885PIM1 3173/4885MTOR 2428/4885
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 TOP2A 35/4885PIM1 4797/4885MTOR 2799/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 TOP2A 376/4885PIM1 4773/4885MTOR 1753/4885

“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.