SCHEMBL796011

SCHEMBL796011

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc([S+]([O-])CC4CC4)nc3)n2)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
ACHE P22303 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCHE P06276 1/20 0.31
TP53 P04637 3/20 0.31
KDM4E B2RXH2 2/20 0.31
RAB9A P51151 2/20 0.31
HSD17B10 Q99714 2/20 0.31
PKM P14618 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KLF5 Q13887 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL795656 0.85 S1PR1 (0.31) S1PR1S1PR3
SCHEMBL795863 0.84 S1PR1 (0.31) S1PR1S1PR3
SCHEMBL795965 0.82 ALOX5AP (0.36)
SCHEMBL796122 0.82 GABRA5 (0.38) ACHEBCHES1PR1
SCHEMBL794868 0.81 LIPE (0.33) MAPTACHEL3MBTL1BCHE
SCHEMBL795736 0.80 CNR2 (0.35) ACHEBCHES1PR1
SCHEMBL797145 0.80 TP53 (0.36) MAPTACHEBCHETP53KDM4E
SCHEMBL796391 0.79 DHFR (0.38) MAPTACHETP53KDM4ERAB9A
SCHEMBL794683 0.78 NPC1 (0.40) MAPTACHEBCHETP53KDM4E
SCHEMBL15477442 0.78 HIF1A (0.42)

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 13 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

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 MAPT 2602/4885ACHE 260/4885L3MBTL1 4747/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885ACHE 260/4885L3MBTL1 4747/4885

“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.