SCHEMBL796545

SCHEMBL796545

N/C(=N\O)c1nc(N)nc(Nc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 2/20 0.50
BCL6 P41182 1/20 0.47
KDM4E B2RXH2 3/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 3/20 0.45
CDK9 P50750 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
NFKB1 P19838 2/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42

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
SCHEMBL796547 1.00 NPC1 (0.50) NPC1RAB9AMAPTKMT2AHTT
SCHEMBL17220211 0.84 MAPT (0.48) NPC1RAB9AMAPTKMT2AGAA
SCHEMBL796743 0.84 TP53 (0.47) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL17220340 0.80 RAB9A (0.45) NPC1RAB9AMAPTKMT2AHTT
SCHEMBL17220058 0.79 CGAS (0.45) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL17220059 0.79 CGAS (0.45) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL795054 0.79 BCL6 (0.55) NPC1RAB9AMAPTKMT2ABCL6
SCHEMBL17220223 0.79 ROCK1 (0.50) NPC1RAB9ACDK9
SCHEMBL17220228 0.79 ROCK1 (0.50) NPC1RAB9ACDK9
SCHEMBL2253957 0.78 GAA (0.69) NPC1RAB9AMAPTKMT2AHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 CN 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 4766/4885MAPT 2602/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885MAPT 2602/4885

“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.