SCHEMBL796165

SCHEMBL796165

COCCN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccco3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
TP53 P04637 4/20 0.44
HSD17B10 Q99714 7/20 0.41
HPGD P15428 5/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
USP2 O75604 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TSHR P16473 4/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL795191 0.88 NPC1 (0.42) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL795396 0.87 NPC1 (0.43) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL795354 0.87 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL795178 0.83 NPC1 (0.43) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL795510 0.81 NPC1 (0.41) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL796555 0.81 NPC1 (0.36) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL795410 0.81 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL795701 0.79 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL796101 0.78 S1PR1 (0.41) RAB9ANPC1SMN1; SMN2HSD17B10MAPT
SCHEMBL795285 0.77 NPSR1 (0.38) ALDH1A1POLBMAPK1RECQL

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 14 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
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 RAB9A 4766/4885NPC1 3204/4885SMN1; SMN2 1684/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 RAB9A 4766/4885NPC1 3204/4885SMN1; SMN2 1684/4885

“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.