SCHEMBL795598

SCHEMBL795598

Cc1cccc(N(C)c2nc(N)nc(-c3noc(-c4cccs4)n3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.47
RAB9A P51151 12/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
TP53 P04637 5/20 0.47
MAPK1 P28482 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL795923 0.89 TP53 (0.46) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL797131 0.89 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL796424 0.88 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL796148 0.80 TSHR (0.41) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL796174 0.80 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL795682 0.79 GRM5 (0.51) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL795921 0.79 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL796523 0.78 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL794639 0.78 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL795347 0.77 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53MAPK1

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 4766/4885SMN1; SMN2 1684/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885SMN1; SMN2 1684/4885

“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.