SCHEMBL797339

SCHEMBL797339

CC(C)Oc1cccnc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.34
TP53 P04637 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNA7 P36544 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.31
CYP3A4 P08684 2/20 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
SCHEMBL796384 0.89 NPC1 (0.42) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL796097 0.87 S1PR1 (0.40) SMN1; SMN2TP53NPC1RAB9APKM
SCHEMBL795834 0.85 NPC1 (0.35) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL795276 0.85 SMN1; SMN2 (0.35) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL794554 0.84 NPC1 (0.34) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL795929 0.84 PKM (0.39) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL795610 0.83 S1PR1 (0.33) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL795411 0.83 PKM (0.39) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL796278 0.83 GRM5 (0.39) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL796206 0.83 SMN1; SMN2 (0.34) SMN1; SMN2TP53NPC1RAB9AMEN1

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 SMN1; SMN2 1684/4885TP53 4729/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885TP53 4729/4885NPC1 3204/4885

“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.