SCHEMBL3140710

SCHEMBL3140710

O=c1ccc2ccc(F)c3c2n1CC3CN1CCC(NCc2cc3c(nn2)OCCC3)CC1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.63
SLC2A1 P11166 1/20 0.49
TOP2A P11388 1/20 0.46

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
SCHEMBL3154510 0.95 KCNH2 (0.65) KCNH2SLC2A1TOP2A
SCHEMBL3146451 0.89 KCNH2 (0.52) KCNH2SLC2A1TOP2A
SCHEMBL2931798 0.89 KCNH2 (0.80) KCNH2SLC2A1TOP2A
Gsk-945237 SCHEMBL3141752 0.88 KCNH2 (0.79) KCNH2SLC2A1TOP2A
Gsk-945237 SCHEMBL30480761 0.88 KCNH2 (0.79) KCNH2SLC2A1TOP2A
Gsk-945237 SCHEMBL3221022 0.88 KCNH2 (0.78) KCNH2SLC2A1TOP2A
Gsk-945237 SCHEMBL3215292 0.88 KCNH2 (0.78) KCNH2SLC2A1TOP2A
SCHEMBL3141804 0.86 KCNH2 (0.62) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3221024 0.85 KCNH2 (0.61) KCNH2SLC2A1
SCHEMBL3225939 0.82 KCNH2 (0.70) KCNH2SLC2A1TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP claimed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US claimed
EP-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
EP-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 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 (3 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-20080221110-A1 Compounds NRDC, NISCH, MRPL21 KCNH2 3013/4885SLC2A1 3396/4885TOP2A 39/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB KCNH2 784/4885SLC2A1 4630/4885TOP2A 517/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 KCNH2 3105/4885SLC2A1 4172/4885TOP2A 113/4885

“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.