SCHEMBL795834

SCHEMBL795834

COCCOc1cccnc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 3/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
HSP90AA1 P07900 1/20 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
SCHEMBL796097 0.90 S1PR1 (0.40) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL796384 0.89 NPC1 (0.42) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL794554 0.86 NPC1 (0.34) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL797339 0.85 SMN1; SMN2 (0.34) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL795276 0.83 SMN1; SMN2 (0.35) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL795929 0.82 PKM (0.39) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL795610 0.82 S1PR1 (0.33) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL796447 0.81 PIK3CA (0.38) NPC1RAB9ASMN1; SMN2PKMKDM4E
SCHEMBL796206 0.81 SMN1; SMN2 (0.34) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL796278 0.81 GRM5 (0.39) NPC1RAB9ATP53SMN1; SMN2PKM

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 NPC1 3204/4885RAB9A 4766/4885TP53 4729/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885TP53 4729/4885

“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.