SCHEMBL796056

SCHEMBL796056

COc1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSP90AA1 P07900 1/20 0.41
S1PR1 P21453 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 4/20 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
SCHEMBL15480817 0.88 DHFR (0.36) NPC1RAB9APKML3MBTL1KDM4E
SCHEMBL808016 0.86 STAT3 (0.38) ALDH1A1LMNA
SCHEMBL796527 0.86 GRM5 (0.38) ALDH1A1HSD17B10HPGDMAPTGRM5
SCHEMBL795425 0.86 NR1H4 (0.56) NPC1RAB9APKML3MBTL1HSP90AA1
SCHEMBL795982 0.86 CNR2 (0.42)
SCHEMBL795809 0.85 MAPT (0.36) NPC1RAB9AL3MBTL1KDM4EMEN1
SCHEMBL795346 0.84 ATR (0.36) ALDH1A1MEN1KMT2ADHFR
SCHEMBL797277 0.84 CASP3 (0.45) S1PR1KDM4ELMNADHFR
SCHEMBL795360 0.84 PKM (0.48) NPC1RAB9APKML3MBTL1HSP90AA1
SCHEMBL795858 0.83 NPC1 (0.40) NPC1RAB9APKML3MBTL1S1PR1

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 4766/4885PKM 1412/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885PKM 1412/4885

“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.