SCHEMBL796262

SCHEMBL796262

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3CC[C@H](Oc4ccccc4)C3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAP3K12 Q12852 2/20 0.36
GBA1 P04062 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
MAPT P10636 1/20 0.33
HSP90AA1 P07900 1/20 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
SCHEMBL794854 1.00 ACACB (0.39) ACACBL3MBTL1MAP3K12GBA1ALDH1A1
SCHEMBL796007 0.94 L3MBTL1 (0.39) ACACBL3MBTL1ALDH1A1NPSR1POLB
SCHEMBL794822 0.93 ACACB (0.44) ACACBL3MBTL1ALDH1A1NPSR1POLB
SCHEMBL796032 0.85 L3MBTL1 (0.36) L3MBTL1ALDH1A1NPSR1POLBMAPT
SCHEMBL797182 0.85 L3MBTL1 (0.36) L3MBTL1ALDH1A1NPSR1POLBMAPT
SCHEMBL795897 0.85 ACACB (0.36) ACACBL3MBTL1ALDH1A1NPSR1POLB
SCHEMBL795779 0.83 GPR119 (0.38) L3MBTL1ALDH1A1POLBMAPT
SCHEMBL796710 0.83 GPR119 (0.38) L3MBTL1POLB
SCHEMBL796022 0.83 CARM1 (0.38) L3MBTL1ALDH1A1NPSR1POLB
SCHEMBL796506 0.83 L3MBTL1 (0.42) L3MBTL1ALDH1A1NPSR1POLB

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 2165/4885L3MBTL1 4747/4885MAP3K12 2248/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ACACB 2165/4885L3MBTL1 4747/4885MAP3K12 2248/4885

“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.