SCHEMBL796447

SCHEMBL796447

COCCOc1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
GABRA5 P31644 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ATR Q13535 1/20 0.36
ALOX5AP P20292 2/20 0.35
MAPT P10636 3/20 0.34
S1PR1 P21453 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
FYN P06241 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL794683 0.90 NPC1 (0.40) PIK3CAGABRA5BCHEACHEMAPT
SCHEMBL795820 0.89 ADORA2A (0.40) PIK3CAPIK3CDPIK3CBPIK3CGGABRA5
SCHEMBL15476937 0.89 GABRA5 (0.36) GABRA5BCHEACHEATRALOX5AP
SCHEMBL796094 0.88 SCN9A (0.36) GABRA5BCHEACHEATRALOX5AP
SCHEMBL796180 0.86 ALOX5AP (0.34) BCHEACHEALOX5APMAPTS1PR1
SCHEMBL795542 0.86 SCN9A (0.41) GABRA5BCHEACHES1PR1L3MBTL1
SCHEMBL796052 0.86 GABRA5 (0.37) GABRA5BCHEACHEATRALOX5AP
SCHEMBL796412 0.86 GABRA5 (0.37) GABRA5BCHEACHEATRALOX5AP
SCHEMBL796122 0.85 GABRA5 (0.38) GABRA5BCHEACHES1PR1
SCHEMBL796303 0.85 GRM5 (0.37) GABRA5BCHEACHES1PR1NR1H4

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 2806/4885PIK3CD 2231/4885PIK3CB 3019/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 PIK3CA 2806/4885PIK3CD 2231/4885PIK3CB 3019/4885

“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.