SCHEMBL2937890

SCHEMBL2937890

O=C1COc2ccc(CNC3CCN(CC4Cn5c(=O)cnc6ccc(F)c4c65)CC3)nc2N1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.66
KCNQ1 P51787 1/20 0.56
CACNA1C Q13936 1/20 0.56

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 SCHEMBL2935882 0.99 KCNH2 (0.66) KCNH2KCNQ1CACNA1C
SCHEMBL3547464 0.94 KCNH2 (0.75) KCNH2KCNQ1CACNA1C
SCHEMBL20679341 0.91 KCNH2 (0.65) KCNH2KCNQ1CACNA1C
SCHEMBL3153796 0.90 KCNH2 (0.73) KCNH2
SCHEMBL3542993 0.88 KCNH2 (0.62) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3554272 0.88 KCNH2 (0.62) KCNH2KCNQ1CACNA1C
SCHEMBL13070860 0.86 KCNH2 (0.72) KCNH2
SCHEMBL3548358 0.84 KCNH2 (0.67) KCNH2KCNQ1CACNA1C
SCHEMBL3548355 0.84 KCNH2 (0.67) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3543196 0.84 KCNH2 (0.66) KCNH2KCNQ1CACNA1C

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
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
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 (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 2502/4885KCNQ1 2068/4885CACNA1C 3964/4885

“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.