SCHEMBL796084

SCHEMBL796084

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3CC(Oc4ccccn4)C3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PDE9A O76083 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
SCHEMBL795779 0.91 GPR119 (0.38) L3MBTL1MAPTPDE3BPDE3APDE10A
SCHEMBL794822 0.88 ACACB (0.44) ACACBHTR2AHTR2CHTR2BL3MBTL1
SCHEMBL795897 0.86 ACACB (0.36) ACACBL3MBTL1MAPTTSHRLMNA
SCHEMBL796154 0.83 ACACB (0.38) ACACBL3MBTL1MAPTTSHRLMNA
SCHEMBL795860 0.82 L3MBTL1 (0.37) ACACBL3MBTL1MAPTTSHRLMNA
SCHEMBL796262 0.81 ACACB (0.39) ACACBL3MBTL1MAPTALDH1A1NPSR1
SCHEMBL794854 0.81 ACACB (0.39) ACACBL3MBTL1MAPTALDH1A1NPSR1
SCHEMBL795308 0.81 L3MBTL1 (0.35) ACACBL3MBTL1MAPTALDH1A1NPSR1
SCHEMBL808338 0.80 ALDH1A1 (0.35) ACACBL3MBTL1MAPTTSHRLMNA
SCHEMBL796488 0.80 L3MBTL1 (0.38) L3MBTL1MAPTTSHRLMNAUSP2

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 ACACB 2165/4885HTR2A 379/4885HTR2C 77/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ACACB 2165/4885HTR2A 379/4885HTR2C 77/4885

“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.