SCHEMBL794554

SCHEMBL794554

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3OCC(F)(F)F)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
TP53 P04637 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
PKM P14618 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
GRM5 P41594 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 5/20 0.32
MAPT P10636 4/20 0.32
S1PR1 P21453 1/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KLF5 Q13887 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30

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 0.89 S1PR1 (0.40) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL795443 0.87 GRM5 (0.30) GRM5
SCHEMBL796384 0.87 NPC1 (0.42) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL795834 0.86 NPC1 (0.35) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL795966 0.86 S1PR1 (0.36) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL10287786 0.85 SCN9A (0.37) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL797339 0.84 SMN1; SMN2 (0.34) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL796206 0.83 SMN1; SMN2 (0.34) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL808016 0.83 STAT3 (0.38) ALDH1A1LMNANPSR1SCN9AHDAC1
SCHEMBL808020 0.83 SCN9A (0.34) 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.