SCHEMBL796013

SCHEMBL796013

COCCN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(COCC(F)(F)F)nc3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.37
PIK3CA P42336 1/20 0.37
HDAC1 Q13547 15/20 0.35
HDAC5 Q9UQL6 10/20 0.35
HDAC8 Q9BY41 7/20 0.35
SCN9A Q15858 2/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
ALOX5AP P20292 1/20 0.33

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
SCHEMBL795285 0.88 NPSR1 (0.38) HDAC6HDAC1HDAC5HDAC8SCN9A
SCHEMBL795506 0.87 HDAC6 (0.38) HDAC6PIK3CAHDAC1HDAC5HDAC8
SCHEMBL796101 0.86 S1PR1 (0.41) HDAC6ALOX5AP
SCHEMBL795256 0.85 ALOX5AP (0.33) HDAC6ALOX5AP
SCHEMBL796180 0.81 ALOX5AP (0.34) HDAC6HDAC1HDAC5HDAC8ALOX5AP
SCHEMBL795505 0.79 ALOX5AP (0.41) ALOX5AP
SCHEMBL28964257 0.79 SCN9A (0.33) HDAC6PIK3CAHDAC1HDAC5SCN9A
SCHEMBL10287779 0.78 NPSR1 (0.40) HDAC6HDAC1HDAC5HDAC8SCN9A
SCHEMBL795333 0.78 PIK3CA (0.41) HDAC6PIK3CAHDAC1HDAC5HDAC8
SCHEMBL795868 0.77 NPSR1 (0.40) HDAC6HDAC1HDAC5HDAC8SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HDAC6 130/4885PIK3CA 2806/4885HDAC1 288/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HDAC6 130/4885PIK3CA 2806/4885HDAC1 288/4885

“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.