SCHEMBL794759

SCHEMBL794759

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(OC4CCOC4)nc3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.40
PIK3R1 P27986 2/20 0.33
MTOR P42345 4/20 0.33
GABRA5 P31644 2/20 0.33
AKT1 P31749 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
CNR2 P34972 1/20 0.31
BRD4 O60885 1/20 0.31
SCN9A Q15858 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
FFAR2 O15552 2/20 0.31
BRAF P15056 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL795632 0.95 PIK3CA (0.45) PIK3CAPIK3R1MTORGABRA5SCN9A
SCHEMBL795796 0.90 PIK3CA (0.37) PIK3CAGABRA5BCHEACHE
SCHEMBL796207 0.90 PIK3CA (0.37) PIK3CAGABRA5BCHEACHE
SCHEMBL795698 0.89 PIK3CA (0.36) PIK3CAGABRA5BCHEACHE
SCHEMBL795020 0.86 ADORA2A (0.38) PIK3CAGABRA5ACHENPC1RAB9A
SCHEMBL797058 0.86 ATM (0.36) PIK3CACNR2ACHE
SCHEMBL795820 0.83 ADORA2A (0.40) PIK3CAGABRA5PIK3CDPIK3CBPIK3CG
SCHEMBL796122 0.83 GABRA5 (0.38) GABRA5CNR2BCHEACHE
SCHEMBL795652 0.82 ALOX5AP (0.37) PIK3CAPIK3R1GABRA5BRAF
SCHEMBL794683 0.81 NPC1 (0.40) PIK3CAMTORGABRA5BCHEACHE

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 PIK3CA 2806/4885PIK3R1 4203/4885MTOR 2697/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 PIK3CA 2806/4885PIK3R1 4203/4885MTOR 2697/4885

“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.