SCHEMBL796383

SCHEMBL796383

Cc1ncccc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.42
SMN1; SMN2 Q16637 9/20 0.42
RAB9A P51151 9/20 0.42
PKM P14618 5/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MITF O75030 1/20 0.42
DHFR P00374 1/20 0.38
ALOX5AP P20292 1/20 0.38
TP53 P04637 6/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 3/20 0.37
GRM5 P41594 3/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 3/20 0.36

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
SCHEMBL796455 0.90 NPC1 (0.40) NPC1SMN1; SMN2RAB9APKMGAA
SCHEMBL795488 0.88 GRM5 (0.41) NPC1SMN1; SMN2RAB9APKMGAA
SCHEMBL795724 0.88 NPC1 (0.39) NPC1SMN1; SMN2RAB9APKMGAA
SCHEMBL795690 0.86 NPC1 (0.48) NPC1SMN1; SMN2RAB9APKMGAA
SCHEMBL795372 0.86 RAB9A (0.42) NPC1SMN1; SMN2RAB9APKMGAA
SCHEMBL796711 0.86 NPC1 (0.38) NPC1SMN1; SMN2RAB9APKMGAA
SCHEMBL795411 0.86 PKM (0.39) NPC1SMN1; SMN2RAB9APKMGAA
SCHEMBL796525 0.85 GRM5 (0.40) NPC1SMN1; SMN2RAB9APKMGAA
SCHEMBL797064 0.85 NPC1 (0.51) NPC1SMN1; SMN2RAB9APKMGAA
SCHEMBL795929 0.85 PKM (0.39) NPC1SMN1; SMN2RAB9APKMGAA

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

“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.