SCHEMBL796202

SCHEMBL796202

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.37
NR1H4 Q96RI1 2/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
ATR Q13535 1/20 0.35
CHEK2 O96017 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
APP P05067 1/20 0.33
GRM5 P41594 1/20 0.33
S1PR1 P21453 1/20 0.33
ALOX5AP P20292 1/20 0.33

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
SCHEMBL797312 0.93 NR1H4 (0.39) SCN9ANR1H4NPC1RAB9AATR
SCHEMBL795883 0.92 ATR (0.35) NR1H4NPC1RAB9AATRTP53
SCHEMBL795660 0.91 ATR (0.41) NR1H4NPC1RAB9AATRTP53
SCHEMBL797183 0.90 ALOX5AP (0.44) NR1H4NPC1RAB9AATRTP53
SCHEMBL796247 0.87 ALOX5AP (0.36) NR1H4NPC1RAB9AATRTP53
SCHEMBL796510 0.86 TP53 (0.37) NR1H4NPC1RAB9AATRTP53
SCHEMBL796337 0.86 MAPK14 (0.37) NPC1RAB9AATRKMT2ASMN1; SMN2
SCHEMBL797145 0.86 TP53 (0.36) NR1H4NPC1RAB9ATP53MAPT
SCHEMBL795739 0.85 S1PR1 (0.44) NPC1RAB9AATRTP53MAPT
SCHEMBL795936 0.85 ALOX5AP (0.38) NPC1RAB9AATRTP53MAPT

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 13 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

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 SCN9A 1051/4885NR1H4 393/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SCN9A 1051/4885NR1H4 393/4885NPC1 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.