SCHEMBL796432

SCHEMBL796432

CN(c1ccccc1)c1nc(N)nc(-c2noc([C@H]3C[C@H]4CC[C@@H](C3)N4)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
NPC1 O15118 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHFR P00374 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL796433 1.00 TLR9 (0.36) TLR9TLR8TLR7NPC1MAPK1
SCHEMBL12467074 0.85 NPC1 (0.49) NPC1MAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL796453 0.85 DHFR (0.34) TLR9TLR8TLR7NPC1MAPK1
Hydrochloric Acid SCHEMBL795905 0.84 NR1H4 (0.47) TLR9TLR8TLR7NPC1MAPK1
Hydrochloric Acid SCHEMBL796105 0.84 DHFR (0.34) TLR9TLR8TLR7NPC1MAPK1
SCHEMBL795636 0.84 NPC1 (0.38) NPC1MAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL795462 0.84 NPC1 (0.38) NPC1MAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL795712 0.83 NPC1 (0.37) NPC1MAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL795596 0.83 SLC6A2 (0.33) NPC1MAPK1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL15477120 0.83 NR1H4 (0.40) TLR9TLR8TLR7NPC1MAPK1

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 TLR9 3143/4885TLR8 1320/4885TLR7 1450/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 TLR9 3143/4885TLR8 1320/4885TLR7 1450/4885

“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.