SCHEMBL2929969

SCHEMBL2929969

O=C1CSc2nnc(CNC3CCN(CC4Cn5c(=O)cnc6ccc(F)c4c65)CC3)cc2N1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.66
SLC2A1 P11166 1/20 0.37
TOP2A P11388 1/20 0.35

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 SCHEMBL2937024 0.99 KCNH2 (0.65) KCNH2SLC2A1TOP2A
SCHEMBL3145885 0.89 KCNH2 (0.51) KCNH2SLC2A1TOP2A
Hydrochloric Acid SCHEMBL3221102 0.88 KCNH2 (0.51) KCNH2SLC2A1TOP2A
SCHEMBL3548229 0.83 KCNH2 (0.59) KCNH2SLC2A1TOP2A
Hydrochloric Acid SCHEMBL3548240 0.83 KCNH2 (0.58) KCNH2SLC2A1TOP2A
SCHEMBL3550264 0.80 KCNH2 (0.60) KCNH2SLC2A1TOP2A
SCHEMBL2937576 0.80 KCNH2 (0.79) KCNH2SLC2A1TOP2A
SCHEMBL2930373 0.79 KCNH2 (1.00) KCNH2SLC2A1TOP2A
SCHEMBL3546058 0.79 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL3150972 0.79 KCNH2 (0.41) KCNH2SLC2A1

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
EP-2001887-B1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-09-15 EP claimed
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials GLAXO GROUP LIMITED (GB) 2009-03-05 US claimed
US-7709483-B2 Pyrrolo-quinoxalinone derivatives as antibacterials GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
US-7709483-B2 Pyrrolo-quinoxalinone derivatives as antibacterials GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials GLAXO GROUP LIMITED (GB) 2009-03-05 US 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-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials NQO2, PPOX, ASNS KCNH2 2502/4885SLC2A1 4506/4885TOP2A 102/4885

“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.