SCHEMBL796094

SCHEMBL796094

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(OCCOCC(F)(F)F)nc3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.36
KCNH2 Q12809 2/20 0.36
GABRA5 P31644 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ATR Q13535 1/20 0.33
S1PR1 P21453 5/20 0.33
SCN5A Q14524 2/20 0.32
ALOX5AP P20292 1/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
PTGES O14684 2/20 0.31
S1PR3 Q99500 1/20 0.31
HDAC4 P56524 1/20 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
SCHEMBL795542 0.92 SCN9A (0.41) SCN9AGABRA5NPSR1BCHEACHE
SCHEMBL15476937 0.91 GABRA5 (0.36) SCN9AKCNH2GABRA5NPSR1BCHE
SCHEMBL796447 0.88 PIK3CA (0.38) GABRA5BCHEACHEATRS1PR1
SCHEMBL795506 0.86 HDAC6 (0.38) SCN9AKCNH2S1PR1SCN5AHDAC8
SCHEMBL796303 0.86 GRM5 (0.37) GABRA5BCHEACHES1PR1HDAC8
SCHEMBL796334 0.86 SCN9A (0.39) SCN9ANPSR1HDAC8HDAC6HDAC1
SCHEMBL794683 0.85 NPC1 (0.40) GABRA5BCHEACHES1PR1S1PR3
SCHEMBL796232 0.84 SCN9A (0.37) SCN9AGABRA5NPSR1HDAC8HDAC6
SCHEMBL796052 0.84 GABRA5 (0.37) GABRA5BCHEACHEATRS1PR1
SCHEMBL795996 0.83 SCN9A (0.38) SCN9AGABRA5NPSR1S1PR1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP claimed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US claimed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US claimed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US claimed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP claimed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO claimed
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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 (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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SCN9A 1051/4885KCNH2 830/4885GABRA5 116/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SCN9A 1051/4885KCNH2 830/4885GABRA5 116/4885

“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.