SCHEMBL796233

SCHEMBL796233

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(C(=O)NC4CCC4)nc3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
TSHR P16473 1/20 0.38
S1PR1 P21453 3/20 0.38
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ABL1 P00519 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
GABRA5 P31644 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MLLT3 P42568 1/20 0.35
MLLT1 Q03111 1/20 0.35

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
SCHEMBL796337 0.97 MAPK14 (0.37) NPC1RAB9ATSHRS1PR1HDAC4
SCHEMBL15477442 0.87 HIF1A (0.42) HDAC4HDAC6USP30GABRA5CNR1
SCHEMBL797312 0.85 NR1H4 (0.39) NPC1RAB9ATSHRS1PR1HDAC4
SCHEMBL795936 0.84 ALOX5AP (0.38) NPC1RAB9ATSHRS1PR1KMT2A
SCHEMBL796202 0.84 SCN9A (0.37) NPC1RAB9AS1PR1HDAC4HDAC6
SCHEMBL795883 0.84 ATR (0.35) NPC1RAB9ATSHRHDAC4HDAC6
SCHEMBL797183 0.84 ALOX5AP (0.44) NPC1RAB9AS1PR1KMT2A
SCHEMBL795660 0.83 ATR (0.41) NPC1RAB9AHDAC4HDAC6MEN1
SCHEMBL795465 0.82 HDAC4 (0.39) S1PR1HDAC4HDAC6GABRA5
SCHEMBL796879 0.82 KDM4E (0.37) NPC1RAB9AMEN1KMT2AGRM5

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 NPC1 3204/4885RAB9A 4766/4885TSHR 1712/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885TSHR 1712/4885

“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.