SCHEMBL435122

SCHEMBL435122

O=Cc1cc2c(cn1)OCCC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
CLK1 P49759 1/20 0.38
CTNNB1 P35222 6/20 0.37
WNT3A P56704 6/20 0.37
NOTUM Q6P988 1/20 0.37
RIPK1 Q13546 1/20 0.34
ERN1 O75460 2/20 0.33
DYRK3 O43781 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
DYRK2 Q92630 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
TOP2A P11388 1/20 0.31
OGA O60502 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
SCHEMBL2930385 0.90 ERN1 (0.41) DYRK1ADYRK1BCLK1ERN1CSNK2A2
SCHEMBL30718843 0.90 ERN1 (0.41) DYRK1ADYRK1BCLK1ERN1CSNK2A2
SCHEMBL4141582 0.87 CTNNB1 (0.37) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL2799483 0.81 NPC1 (0.36) ERN1
SCHEMBL17988328 0.80 CTNNB1 (0.35) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL102388 0.77 TSHR (0.35) CTNNB1WNT3A
SCHEMBL29952723 0.74 NOS3 (0.45)
SCHEMBL3325982 0.74 NOS3 (0.50)
SCHEMBL3329441 0.74 NOS3 (0.45)
SCHEMBL4143011 0.74 DYRK1A (0.38) DYRK1ADYRK1BCLK1CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417348-A Bergamot alcohol derivative and application thereof 中国人民解放军海军军医大学 2024-01-19 CN disclosed
CN-117343085-A Psoralen derivative and application thereof 中国人民解放军海军军医大学 2024-01-05 CN disclosed
CN-117343050-A Baicalein derivative and application thereof 中国人民解放军海军军医大学 2024-01-05 CN disclosed
US-11352349-B2 Type II topoisomerase inhibitors and methods of making and using thereof OHIO STATE INNOVATION FOUNDATION (US) 2022-06-07 US disclosed
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
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP 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
US-20200131158-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION 2020-04-30 US disclosed
EP-1963324-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-09-03 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2007122258-A1 TRYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
WO-2007071936-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-06-28 WO disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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 DYRK1A 3749/4885DYRK1B 4011/4885CLK1 4395/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE DYRK1A 1101/4885DYRK1B 1525/4885CLK1 4090/4885
US-11352349-B2 Type II topoisomerase inhibitors and methods of making and using thereof TOP2A, TOP1, TOP2B DYRK1A 3357/4885DYRK1B 3548/4885CLK1 2621/4885
US-20070185153-A1 COMPOUNDS NRDC, NISCH, MRPL21 DYRK1A 4542/4885DYRK1B 4603/4885CLK1 3684/4885
US-20200131158-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF TOP2A, TOP1, TOP2B DYRK1A 3357/4885DYRK1B 3548/4885CLK1 2621/4885
US-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG DYRK1A 3209/4885DYRK1B 3936/4885CLK1 3200/4885
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 DYRK1A 1931/4885DYRK1B 2179/4885CLK1 4152/4885

“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.