SCHEMBL796276

SCHEMBL796276

Nc1nc(Nc2ccccc2)nc(-c2noc(-c3ccc(CCC(F)(F)F)nc3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRNA7 P36544 1/20 0.37
HTT P42858 2/20 0.37
CDK9 P50750 1/20 0.36
GAA P10253 1/20 0.36
HDAC6 Q9UBN7 8/20 0.35
HDAC8 Q9BY41 7/20 0.35
HDAC1 Q13547 5/20 0.35

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
SCHEMBL795333 0.86 PIK3CA (0.41) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL795269 0.85 EPHX2 (0.39) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL795752 0.83 KMT2A (0.43) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL15477140 0.82 CHRNA7 (0.38) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL10286922 0.80 S1PR1 (0.33) MAPTHDAC6HDAC8HDAC1S1PR1
SCHEMBL796172 0.80 KMT2A (0.39) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL796285 0.78 MAPT (0.36) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL795633 0.78 CNR2 (0.36) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL807919 0.78 MAPT (0.38) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL795379 0.74 ALOX5AP (0.46) NPC1RAB9ASMN1; SMN2KMT2AMAPT

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 11 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-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
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.