SCHEMBL796337

SCHEMBL796337

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(C(=O)NC4CC4)nc3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
ATR Q13535 2/20 0.37
SMYD3 Q9H7B4 1/20 0.37
USP30 Q70CQ3 2/20 0.37
PRKAA2 P54646 3/20 0.36
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
FASN P49327 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
S1PR1 P21453 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GABRA1 P14867 2/20 0.34

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
SCHEMBL796233 0.97 NPC1 (0.39) USP30PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL15477442 0.88 HIF1A (0.42) MAPK14ATRUSP30HDAC1HDAC8
SCHEMBL797312 0.86 NR1H4 (0.39) ATRNPC1RAB9ATSHRS1PR1
SCHEMBL796202 0.86 SCN9A (0.37) ATRNPC1RAB9AS1PR1HDAC8
SCHEMBL795883 0.86 ATR (0.35) ATRNPC1RAB9ATSHRHDAC8
SCHEMBL797183 0.85 ALOX5AP (0.44) ATRNPC1RAB9AS1PR1KMT2A
SCHEMBL795660 0.85 ATR (0.41) ATRNPC1RAB9AHDAC1HDAC8
SCHEMBL795936 0.84 ALOX5AP (0.38) ATRNPC1RAB9ATSHRS1PR1
SCHEMBL795465 0.83 HDAC4 (0.39) S1PR1HDAC8HDAC6GABRA1HDAC4
SCHEMBL795733 0.81 GRM5 (0.35) MAPK14ATRSMYD3

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 MAPK14 2104/4885ATR 3900/4885SMYD3 4325/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPK14 2104/4885ATR 3900/4885SMYD3 4325/4885

“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.