SCHEMBL705557

SCHEMBL705557

O=Cc1ccc2c(n1)NC(=O)CS2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
EPHX2 P34913 1/20 0.38
HTT P42858 1/20 0.38
CCR1 P32246 1/20 0.36
ADAMTS5 Q9UNA0 7/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL4142652 0.77 PDE3B (0.52) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL4142650 0.77 PDE3B (0.46) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL2292992 0.77 PDE3B (0.46) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL30047289 0.77 PDE3B (0.46) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL13306180 0.73 PDE3B (0.46) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL18529024 0.73 ADAMTS5 (0.34) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL1267822 0.73 PDE3B (0.46) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL20687565 0.73 PDE3B (0.40) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL13356413 0.73 PDE3B (0.43) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL620000 0.73 HTT (0.50) PDE3BPDE3AMAOAMAOBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US 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-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 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
US-10683307-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-16 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-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-20050159411-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2005-07-21 US disclosed
WO-2004096982-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-11 WO disclosed
EP-1470125-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-10-27 EP disclosed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 WO disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-15 US disclosed
WO-2004050036-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 WO disclosed
WO-2003064421-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-07 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 (9 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 PDE3B 2827/4885PDE3A 2483/4885MAOA 1729/4885
US-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 PDE3B 70/4885PDE3A 94/4885MAOA 91/4885
US-10683307-B2 Compounds for use in antibacterial applications MRPL21, CFTR, NRDC PDE3B 2296/4885PDE3A 2447/4885MAOA 2751/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE PDE3B 34/4885PDE3A 8/4885MAOA 274/4885
US-11352349-B2 Type II topoisomerase inhibitors and methods of making and using thereof TOP2A, TOP1, TOP2B PDE3B 382/4885PDE3A 323/4885MAOA 1849/4885
US-20200131158-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF TOP2A, TOP1, TOP2B PDE3B 382/4885PDE3A 323/4885MAOA 1849/4885
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 PDE3B 25/4885PDE3A 15/4885MAOA 435/4885
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents NCF1, TEAD1, TYMS PDE3B 1753/4885PDE3A 1631/4885MAOA 3101/4885
US-20050159411-A1 Aminopiperidine derivatives AMPD2, AMPD3, NPEPPS PDE3B 357/4885PDE3A 208/4885MAOA 1954/4885

“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.