SCHEMBL796510

SCHEMBL796510

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(O)nc3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 5/20 0.37
MAPT P10636 4/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 6/20 0.35
PKM P14618 5/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
KLF5 Q13887 1/20 0.35
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
DHFR P00374 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL797145 0.89 TP53 (0.36) TP53RAB9ANPC1MAPTHSD17B10
SCHEMBL796391 0.88 DHFR (0.38) TP53RAB9ANPC1MAPTHSD17B10
SCHEMBL796554 0.87 RAB9A (0.45) TP53RAB9ANPC1MAPTHSD17B10
SCHEMBL796016 0.87 TP53 (0.35) TP53RAB9ANPC1MAPTHSD17B10
SCHEMBL797312 0.87 NR1H4 (0.39) TP53RAB9ANPC1MAPTHSD17B10
SCHEMBL795739 0.87 S1PR1 (0.44) TP53RAB9ANPC1MAPTHSD17B10
SCHEMBL796202 0.86 SCN9A (0.37) TP53RAB9ANPC1MAPTKMT2A
SCHEMBL795883 0.86 ATR (0.35) TP53RAB9ANPC1MAPTHSD17B10
SCHEMBL796775 0.86 DHFR (0.37) TP53RAB9ANPC1MAPTHSD17B10
SCHEMBL795820 0.85 ADORA2A (0.40) TP53RAB9ANPC1MAPTALDH1A1

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 6 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
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 TP53 4729/4885RAB9A 4766/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 TP53 4729/4885RAB9A 4766/4885NPC1 3204/4885

“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.