SCHEMBL2933591

SCHEMBL2933591

C(=Cc1ncc2c(n1)OCCC2)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
ACHE P22303 1/20 0.36
GRM1 Q13255 2/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
TP53 P04637 2/20 0.35
HTT P42858 2/20 0.35
IGF1R P08069 1/20 0.34
CDK2 P24941 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CASP3 P42574 4/20 0.33
SENP8 Q96LD8 4/20 0.33
SENP7 Q9BQF6 4/20 0.33
SENP6 Q9GZR1 4/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2933588 1.00 GRM5 (0.41) GRM5ACHEGRM1PDGFRBPDGFRA
SCHEMBL14358377 0.78 GRM5 (0.43) GRM5PDGFRBPDGFRATP53HTT
SCHEMBL14358365 0.78 GRM5 (0.43) GRM5PDGFRBPDGFRATP53HTT
SCHEMBL4298365 0.77 CDK5 (0.50) GRM5PDGFRBPDGFRATP53HTT
SCHEMBL4298369 0.77 CDK5 (0.50) GRM5PDGFRBPDGFRATP53HTT
SCHEMBL29952916 0.76 GRM1 (0.32) ACHEGRM1TP53MAPK1SMN1; SMN2
SCHEMBL4297832 0.74 ACHE (0.47) GRM5ACHETP53HTTALDH1A1
SCHEMBL4297828 0.74 ACHE (0.47) GRM5ACHETP53HTTALDH1A1
SCHEMBL21371866 0.67 ACHE (0.32) ACHEGRM1
SCHEMBL13114358 0.67 ACHE (0.35) ACHEGRM1TP53CDK2MAPK1

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 9 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-2001887-B1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-09-15 EP disclosed
US-7709483-B2 Pyrrolo-quinoxalinone derivatives as antibacterials GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-2001887-A1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2008-12-17 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2007115947-A1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-10-18 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 (2 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-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials NQO2, PPOX, ASNS GRM5 2859/4885ACHE 2195/4885GRM1 2757/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ GRM5 4429/4885ACHE 3233/4885GRM1 4719/4885

“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.