SCHEMBL795465

SCHEMBL795465

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(C(=O)NCC(F)(F)F)nc3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.39
GABRA1 P14867 2/20 0.37
GABRA5 P31644 3/20 0.36
HIF1A Q16665 3/20 0.35
PDE10A Q9Y233 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
NAPEPLD Q6IQ20 1/20 0.34
STAT3 P40763 1/20 0.34
S1PR1 P21453 1/20 0.34
ULK1 O75385 2/20 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
SCHEMBL15477442 0.87 HIF1A (0.42) HDAC4GABRA1GABRA5HIF1AHDAC6
SCHEMBL797312 0.85 NR1H4 (0.39) HDAC4HDAC6HDAC8S1PR1
SCHEMBL794849 0.84 GABRA5 (0.42) HDAC4GABRA5HDAC6
SCHEMBL796202 0.84 SCN9A (0.37) HDAC4HDAC6HDAC8S1PR1
SCHEMBL795883 0.84 ATR (0.35) HDAC4HDAC6HDAC8
SCHEMBL794771 0.84 HDAC4 (0.40) HDAC4PDE10AHDAC6S1PR1
SCHEMBL797183 0.84 ALOX5AP (0.44) S1PR1
SCHEMBL795660 0.83 ATR (0.41) HDAC4HDAC6HDAC8
SCHEMBL796337 0.83 MAPK14 (0.37) HDAC4GABRA1HDAC6HDAC8S1PR1
SCHEMBL796233 0.82 NPC1 (0.39) HDAC4GABRA5HDAC6S1PR1

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 10 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-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
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 HDAC4 781/4885GABRA1 440/4885GABRA5 116/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HDAC4 781/4885GABRA1 440/4885GABRA5 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.