SCHEMBL794868

SCHEMBL794868

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(SCC4CC4)nc3)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.33
ACHE P22303 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CNR2 P34972 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX5AP P20292 1/20 0.30
MAPT P10636 1/20 0.30
BCHE P06276 1/20 0.30
SLC12A5 Q9H2X9 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
SCHEMBL796017 0.86 LIPE (0.33) LIPEACHEMAPTBCHESLC12A5
SCHEMBL796380 0.84 S1PR1 (0.31) ACHEMAPTBCHESLC12A5
SCHEMBL795965 0.83 ALOX5AP (0.36) ALOX5AP
SCHEMBL796122 0.83 GABRA5 (0.38) ACHECNR2BCHE
SCHEMBL795736 0.81 CNR2 (0.35) ACHECNR2ALOX5APBCHE
SCHEMBL796011 0.81 MAPT (0.31) ACHEL3MBTL1MAPTBCHE
SCHEMBL797145 0.81 TP53 (0.36) ACHEALOX5APMAPTBCHE
SCHEMBL796391 0.80 DHFR (0.38) ACHEALOX5APMAPT
SCHEMBL15477442 0.80 HIF1A (0.42)
SCHEMBL796016 0.79 TP53 (0.35) ACHEMAPTBCHE

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 LIPE 3132/4885ACHE 260/4885L3MBTL1 4747/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 LIPE 3132/4885ACHE 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.