SCHEMBL2686508

SCHEMBL2686508

CCOc1cnc2ccc(=O)n(CCN3CCC(N)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.56
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL2687414 0.90 KCNH2 (0.64) KCNH2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4136600 0.89 KCNH2 (0.63) KCNH2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2685770 0.89 KCNH2 (0.63) KCNH2CYP3A4CYP2D6
SCHEMBL4303205 0.86 KCNH2 (0.49) KCNH2CYP3A4CYP2D6
SCHEMBL12090741 0.85 KCNH2 (0.52) KCNH2CYP3A4CYP2D6
SCHEMBL707415 0.85 KCNH2 (0.61) KCNH2
Hydrochloric Acid SCHEMBL2798199 0.84 KCNH2 (0.60) KCNH2
SCHEMBL19094022 0.83 KCNH2 (0.49) KCNH2CYP3A4CYP2D6
SCHEMBL11999992 0.82 KCNH2 (0.48) KCNH2CYP3A4CYP2D6
SCHEMBL2685561 0.82 KCNH2 (0.61) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379554-B1 NAPHTHYRIDIN-2(1H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2015-11-11 EP disclosed
EP-2379554-B1 NAPHTHYRIDIN-2(1H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2015-11-11 EP disclosed
US-8318940-B2 Naphthyridin-2 (1 H)-one compounds useful as antibacterials GLAXO GROUP LIMITED (GB) 2012-11-27 US disclosed
US-8318940-B2 Naphthyridin-2 (1 H)-one compounds useful as antibacterials GLAXO GROUP LIMITED (GB) 2012-11-27 US disclosed
US-8318940-B2 Naphthyridin-2 (1 H)-one compounds useful as antibacterials GLAXO GROUP LIMITED (GB) 2012-11-27 US disclosed
US-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2012-05-10 US disclosed
US-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2012-05-10 US disclosed
US-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2012-05-10 US disclosed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
WO-2010081874-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed
WO-2009090222-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-07-23 WO disclosed
EP-2080761-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-07-22 EP disclosed
EP-2080761-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-07-22 EP 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 (2 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-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS RIF1, MRPL21, NAT1 KCNH2 3252/4885CYP3A4 912/4885CYP2D6 438/4885
US-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS NAT1, RIF1, MRPL21 KCNH2 2185/4885CYP3A4 848/4885CYP2D6 265/4885

“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.