SCHEMBL3328643

SCHEMBL3328643

O=Cc1cc(F)c2c(c1)NCCO2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.35
PIK3CD O00329 2/20 0.33
BTK Q06187 2/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FABP6 P51161 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
EGFR P00533 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2361983 0.78 ALDH1A1 (0.37) ARPIK3CDBTKCDK4CDK6
SCHEMBL29620781 0.75 ALDH1A1 (0.35) ARPIK3CDBTKCDK4CDK6
SCHEMBL21372201 0.75 ALDH1A1 (0.35) ARPIK3CDBTKCDK4CDK6
SCHEMBL12116975 0.75 ALDH1A1 (0.50) ARPIK3CDBTKCDK4CDK6
SCHEMBL13035938 0.75 ALDH1A1 (0.35) ARPIK3CDBTKCDK4CDK6
SCHEMBL3324985 0.74 AR (0.35) ARALDH1A1GAAHSD17B10FABP6
SCHEMBL3276712 0.73 NR3C2 (0.44)
SCHEMBL29952529 0.73 NR3C2 (0.44)
SCHEMBL1058342 0.73 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL25367179 0.72 AR (0.36) ARPIK3CDBTKCDK4CDK6

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 8 patents. 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-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-8389524-B2 Tricyclic nitrogen containing compounds as antibacterial agents GLAXO GROUP LIMITED (GB) 2013-03-05 US 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

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-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 AR 1729/4885PIK3CD 2305/4885BTK 2902/4885
US-20100137282-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS ZYX, NRDC, NAA50 AR 3852/4885PIK3CD 2822/4885BTK 4113/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE AR 795/4885PIK3CD 4088/4885BTK 3651/4885
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 AR 905/4885PIK3CD 3049/4885BTK 3923/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 AR 1729/4885PIK3CD 2305/4885BTK 2902/4885

“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.