SCHEMBL795526

SCHEMBL795526

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cccc(Cl)c3)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
TSHR P16473 3/20 0.50
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MITF O75030 1/20 0.50
PKM P14618 1/20 0.50
GRM5 P41594 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PLCG2 P16885 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GLA P06280 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL795503 0.89 NR1H4 (0.47) NPC1RAB9AMAPTTSHRTP53
SCHEMBL795682 0.88 GRM5 (0.51) NPC1RAB9ATSHRTP53SMN1; SMN2
SCHEMBL795543 0.88 NPC1 (0.47) NPC1RAB9AMAPTTSHRTP53
SCHEMBL795245 0.87 GRM5 (0.50) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL794699 0.86 NPC1 (0.50) NPC1RAB9AMAPTTSHRTP53
SCHEMBL795939 0.85 NPC1 (0.60) NPC1RAB9AMAPTTSHRTP53
SCHEMBL795429 0.83 GRM5 (0.43) NPC1RAB9AMAPTTSHRTP53
SCHEMBL807927 0.83 SMN1; SMN2 (0.39) NPC1RAB9AMAPTTSHRTP53
SCHEMBL795514 0.82 RAB9A (0.53) NPC1RAB9AMAPTTSHRTP53
SCHEMBL796191 0.82 SMN1; SMN2 (0.51) NPC1RAB9AMAPTTSHRTP53

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 4766/4885MAPT 2602/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885MAPT 2602/4885

“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.