SCHEMBL796316

SCHEMBL796316

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cccnc3COCC(F)(F)F)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
HDAC5 Q9UQL6 5/20 0.38
HDAC8 Q9BY41 3/20 0.38
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 2/20 0.33
PKM P14618 2/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MITF O75030 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
PIK3CA P42336 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL10287786 0.87 SCN9A (0.37) HDAC1HDAC6HDAC5NPC1RAB9A
SCHEMBL795443 0.86 GRM5 (0.30) PIK3CAGRM5
SCHEMBL796711 0.84 NPC1 (0.38) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL795250 0.84 S1PR1 (0.37) HDAC1HDAC6HDAC8NPC1RAB9A
SCHEMBL795949 0.83 HDAC4 (0.33) HDAC1PIK3CAS1PR1S1PR3
SCHEMBL795870 0.81 ALDH1A1 (0.34) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL794554 0.81 NPC1 (0.34) HDAC1HDAC6HDAC5NPC1RAB9A
SCHEMBL795506 0.81 HDAC6 (0.38) HDAC1HDAC6HDAC5HDAC8PIK3CA
SCHEMBL796455 0.80 NPC1 (0.40) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL796383 0.79 NPC1 (0.42) NPC1RAB9ASMN1; SMN2GAAPKM

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 HDAC1 288/4885HDAC6 130/4885HDAC5 160/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HDAC1 288/4885HDAC6 130/4885HDAC5 160/4885

“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.