SCHEMBL3144572

SCHEMBL3144572

N#Cc1ccc2ccc(=O)n3c2c1C(CN1CCC(N)CC1)C3

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.36
SLC2A1 P11166 1/20 0.35
KCNH2 Q12809 2/20 0.35
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
DPP4 P27487 4/20 0.31

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
SCHEMBL2821795 0.84 KCNH2 (0.46) KDM1AKCNH2HRH2HRH1HRH3
SCHEMBL3145888 0.83 SLC2A1 (0.42) SLC2A1KCNH2
SCHEMBL3146445 0.83 SLC2A1 (0.47) KDM1ASLC2A1KCNH2
SCHEMBL3224839 0.83 SLC2A1 (0.47) KDM1ASLC2A1KCNH2
SCHEMBL3326906 0.83 SLC2A1 (0.47) KDM1ASLC2A1KCNH2
Hydrochloric Acid SCHEMBL3149069 0.82 SLC2A1 (0.46) SLC2A1KCNH2
SCHEMBL3149562 0.80 SLC2A1 (0.45) KDM1ASLC2A1KCNH2
SCHEMBL3215307 0.80 SLC2A1 (0.40) SLC2A1KCNH2
SCHEMBL3149594 0.77 HTR1A (0.37) SLC2A1KCNH2
SCHEMBL1712131 0.77 HTR1A (0.32) KDM1A

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 21 patents — showing the first 20. 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
CN-101346379-A Per-cyclic tricyclic compounds useful as antibacterial agents GLAXO GROUP LTD (GB) 2009-01-14 CN 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
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
EP-2176262-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-04-21 EP disclosed
CN-101678015-A Pyrrolo (3, 2, 1-ij) quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LTD 2010-03-24 CN 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
CN-101346379-A Per-cyclic tricyclic compounds useful as antibacterial agents GLAXO GROUP LTD (GB) 2009-01-14 CN disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
WO-2008128962-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008128962-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-10-30 WO 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
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
EP-1954697-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-08-13 EP 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 (4 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 KDM1A 4594/4885SLC2A1 3396/4885KCNH2 3013/4885
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS NRDC, NACA, NOP2 KDM1A 4480/4885SLC2A1 4498/4885KCNH2 2974/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB KDM1A 1619/4885SLC2A1 4630/4885KCNH2 784/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 KDM1A 4133/4885SLC2A1 4172/4885KCNH2 3105/4885

“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.