SCHEMBL795372

SCHEMBL795372

COc1ncccc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.42
NPC1 O15118 8/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
TP53 P04637 6/20 0.42
GAA P10253 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 4/20 0.42
PKM P14618 2/20 0.42
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
CHRNA7 P36544 1/20 0.38
HPGD P15428 3/20 0.38
MITF O75030 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
CASP1 P29466 1/20 0.37
GLA P06280 1/20 0.36
THRB P10828 1/20 0.36
PIK3CA P42336 2/20 0.36

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
SCHEMBL796311 0.90 NPSR1 (0.42) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL796455 0.87 NPC1 (0.40) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL10287786 0.87 SCN9A (0.37) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL796383 0.86 NPC1 (0.42) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL796711 0.86 NPC1 (0.38) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL795724 0.85 NPC1 (0.39) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL795488 0.85 GRM5 (0.41) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL795842 0.85 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL796384 0.84 NPC1 (0.42) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL796498 0.84 GRM5 (0.38) RAB9ANPC1SMN1; SMN2TP53GAA

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.