SCHEMBL796525

SCHEMBL796525

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cccnc3C(=O)O)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
NPC1 O15118 6/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
GAA P10253 2/20 0.37
PKM P14618 2/20 0.37
MITF O75030 1/20 0.37
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TP53 P04637 3/20 0.35
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HAO1 Q9UJM8 2/20 0.35
MAPK1 P28482 1/20 0.34
ALOX15 P16050 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
SCHEMBL796498 0.91 GRM5 (0.38) GRM5NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL795724 0.87 NPC1 (0.39) GRM5NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL795733 0.86 GRM5 (0.35) GRM5GAAMAPTKDM4EALDH1A1
SCHEMBL796455 0.86 NPC1 (0.40) GRM5NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL796383 0.85 NPC1 (0.42) GRM5NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL796331 0.85 ADORA2A (0.36) GRM5MAPTALDH1A1MAPK1TSHR
SCHEMBL797207 0.85 KMT2A (0.34) GRM5NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL795653 0.85 KCNA5 (0.42) TP53ALDH1A1
SCHEMBL796879 0.85 KDM4E (0.37) GRM5NPC1RAB9ASMN1; SMN2GAA
SCHEMBL796437 0.85 KDM4E (0.40) GRM5NPC1RAB9ASMN1; SMN2L3MBTL1

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 GRM5 67/4885NPC1 3204/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GRM5 67/4885NPC1 3204/4885RAB9A 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.