SCHEMBL2933431

SCHEMBL2933431

O=c1cnc2ccc(F)c3c2n1CC3CN1CCC(NCc2cc3c(cn2)OCC3)CC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.75
TOP2A P11388 1/20 0.57
SLC2A1 P11166 1/20 0.40

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 SCHEMBL2931885 0.99 KCNH2 (0.74) KCNH2TOP2ASLC2A1
SCHEMBL3556413 0.94 KCNH2 (0.85) KCNH2TOP2A
SCHEMBL2931641 0.92 KCNH2 (0.88) KCNH2TOP2ASLC2A1
SCHEMBL3554251 0.89 KCNH2 (0.83) KCNH2TOP2A
Hydrochloric Acid SCHEMBL3548943 0.89 KCNH2 (0.82) KCNH2TOP2ASLC2A1
SCHEMBL2932059 0.88 KCNH2 (0.71) KCNH2TOP2A
SCHEMBL3545176 0.88 KCNH2 (0.71) KCNH2TOP2ASLC2A1
Hydrochloric Acid SCHEMBL2936950 0.88 KCNH2 (0.70) KCNH2TOP2ASLC2A1
SCHEMBL3547146 0.86 KCNH2 (1.00) KCNH2TOP2ASLC2A1
SCHEMBL3551402 0.86 KCNH2 (1.00) KCNH2TOP2ASLC2A1

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 8 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-7709483-B2 Pyrrolo-quinoxalinone derivatives as antibacterials GLAXO GROUP LIMITED (GB) 2010-05-04 US claimed
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials GLAXO GROUP LIMITED (GB) 2009-03-05 US claimed
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-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 2502/4885TOP2A 102/4885SLC2A1 4506/4885

“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.