SCHEMBL910247

SCHEMBL910247

O=c1ccc2ncc(=O)n3c2n1CCC3CN1CCC(NCc2cc3c(cn2)OCS3)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.64
KCNH2 Q12809 12/20 0.49
SLC2A1 P11166 2/20 0.43

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
Hydrochloric Acid SCHEMBL910075 0.99 TOP2A (0.63) TOP2AKCNH2SLC2A1
SCHEMBL910290 0.97 TOP2A (0.60) TOP2AKCNH2SLC2A1
SCHEMBL910407 0.97 TOP2A (0.60) TOP2AKCNH2SLC2A1
Hydrochloric Acid SCHEMBL909969 0.96 TOP2A (0.59) TOP2AKCNH2SLC2A1
Hydrochloric Acid SCHEMBL910265 0.96 TOP2A (0.59) TOP2AKCNH2SLC2A1
SCHEMBL3327786 0.94 TOP2A (0.73) TOP2AKCNH2SLC2A1
SCHEMBL3324515 0.94 TOP2A (0.73) TOP2AKCNH2SLC2A1
SCHEMBL3328140 0.94 TOP2A (0.73) TOP2AKCNH2SLC2A1
Hydrochloric Acid SCHEMBL3327282 0.93 TOP2A (0.72) TOP2AKCNH2SLC2A1
Hydrochloric Acid SCHEMBL3328877 0.93 TOP2A (0.72) TOP2AKCNH2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 US claimed
EP-2238138-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2010-10-13 EP claimed
WO-2009087153-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2009-07-16 WO claimed
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 US disclosed
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 US disclosed
WO-2009087153-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2009-07-16 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 (1 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-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 TOP2A 96/4885KCNH2 3726/4885SLC2A1 3904/4885

“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.