SCHEMBL797312

SCHEMBL797312

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.39
KDM1A O60341 1/20 0.38
ATR Q13535 1/20 0.36
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 1/20 0.34
SCN9A Q15858 1/20 0.34
RARA P10276 3/20 0.34
RARB P10826 3/20 0.34
RARG P13631 3/20 0.34
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALOX5AP P20292 1/20 0.34
DHFR P00374 2/20 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
SCHEMBL795883 0.93 ATR (0.35) NR1H4KDM1AATRTP53MAPT
SCHEMBL796202 0.93 SCN9A (0.37) NR1H4ATRTP53MAPTPKM
SCHEMBL795660 0.92 ATR (0.41) NR1H4ATRTP53MAPTPKM
SCHEMBL797183 0.91 ALOX5AP (0.44) NR1H4KDM1AATRTP53MAPT
SCHEMBL796247 0.88 ALOX5AP (0.36) NR1H4ATRTP53MAPTPKM
SCHEMBL796510 0.87 TP53 (0.37) NR1H4ATRTP53MAPTPKM
SCHEMBL796337 0.86 MAPK14 (0.37) KDM1AATRRAB9ASMN1; SMN2NPC1
SCHEMBL797145 0.86 TP53 (0.36) NR1H4TP53MAPTPKMRAB9A
SCHEMBL795936 0.86 ALOX5AP (0.38) KDM1AATRTP53MAPTPKM
SCHEMBL796391 0.85 DHFR (0.38) NR1H4ATRTP53MAPTPKM

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 NR1H4 393/4885KDM1A 3623/4885ATR 3900/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NR1H4 393/4885KDM1A 3623/4885ATR 3900/4885

“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.