SCHEMBL2819230

SCHEMBL2819230

COC(OC)c1ncc2c(n1)NC(=O)CC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CRBN Q96SW2 3/20 0.35
DRD2 P14416 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
CYP19A1 P11511 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32

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
SCHEMBL17164728 0.78 PDE3B (0.40) IDH1PDE3BPDE3ACRBNDRD2
SCHEMBL14042006 0.76 PDE3B (0.46) IDH1PDE3BPDE3ACRBNDRD2
SCHEMBL18168295 0.72 IDH1 (0.42) IDH1PDE3BPDE3ACRBNDRD2
SCHEMBL2574949 0.70 PDE3B (0.38) IDH1PDE3BPDE3ACRBN
SCHEMBL2821501 0.70
SCHEMBL1662286 0.69 KIF11 (0.37) IDH1PDE3BPDE3ACRBNDRD2
SCHEMBL14020816 0.69 IDH1 (0.38) IDH1PDE3BPDE3ACRBNDRD2
SCHEMBL18238728 0.68 PDE3B (0.42) IDH1PDE3BPDE3ACRBN
SCHEMBL335438 0.67 DRD2 (0.49) PDE3BPDE3ACRBNDRD2HTR1A
SCHEMBL3419723 0.65 CRBN (0.47) PDE3BPDE3ACRBNCYP11B1CYP11B2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
EP-2041145-B1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
EP-2001887-B1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-09-15 EP disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
US-7709483-B2 Pyrrolo-quinoxalinone derivatives as antibacterials GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 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 (4 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH IDH1 720/4885PDE3B 4400/4885PDE3A 4351/4885
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials NQO2, PPOX, ASNS IDH1 979/4885PDE3B 3346/4885PDE3A 3501/4885
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE AADAC, AZI2, NNMT IDH1 925/4885PDE3B 2853/4885PDE3A 2459/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ IDH1 834/4885PDE3B 3063/4885PDE3A 2883/4885

“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.