SCHEMBL796424

SCHEMBL796424

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cccs3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.48
RAB9A P51151 12/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
TP53 P04637 4/20 0.48
MAPK1 P28482 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 4/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 2/20 0.43
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL795598 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL795923 0.87 TP53 (0.46) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL797131 0.87 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL795347 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL796523 0.85 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL796054 0.84 ALOX5AP (0.35) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL796378 0.84 DHFR (0.37) NPC1RAB9ASMN1; SMN2MAPK1TDP1
SCHEMBL795503 0.83 NR1H4 (0.47) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL795469 0.82 CASP3 (0.39) NPC1RAB9ASMN1; SMN2MAPK1TDP1
SCHEMBL795124 0.82 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2TP53MAPK1

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