SCHEMBL796120

SCHEMBL796120

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(CNC4CCC4)nc3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 15/20 0.40
HDAC6 Q9UBN7 15/20 0.40
HDAC1 Q13547 14/20 0.40
HDAC5 Q9UQL6 1/20 0.33
PAICS P22234 2/20 0.33
TP53 P04637 1/20 0.31
ALOX5AP P20292 2/20 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
SCHEMBL10287193 0.86 S1PR1 (0.33) HDAC8HDAC6HDAC1HDAC5ALOX5AP
SCHEMBL795739 0.83 S1PR1 (0.44) TP53ALOX5AP
SCHEMBL796795 0.82 S1PR1 (0.36)
SCHEMBL796207 0.82 PIK3CA (0.37) ALOX5AP
SCHEMBL796233 0.82 NPC1 (0.39) HDAC6
SCHEMBL795736 0.81 CNR2 (0.35) HDAC6HDAC1HDAC5ALOX5AP
SCHEMBL795796 0.80 PIK3CA (0.37) TP53ALOX5AP
SCHEMBL795965 0.80 ALOX5AP (0.36) HDAC6ALOX5AP
SCHEMBL797145 0.80 TP53 (0.36) TP53ALOX5AP
SCHEMBL795698 0.79 PIK3CA (0.36) ALOX5AP

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 11 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
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 HDAC8 1555/4885HDAC6 130/4885HDAC1 288/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HDAC8 1555/4885HDAC6 130/4885HDAC1 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.