SCHEMBL795820

SCHEMBL795820

COc1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ATR Q13535 1/20 0.39
S1PR1 P21453 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
OXTR P30559 2/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
PIK3CA P42336 5/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
KDM1A O60341 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
GABRA5 P31644 1/20 0.36
BCHE P06276 1/20 0.36

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) S1PR1NPC1RAB9APIK3CASMN1; SMN2
SCHEMBL796447 0.89 PIK3CA (0.38) ATRS1PR1NR1H4OXTRNPC1
SCHEMBL796303 0.89 GRM5 (0.37) S1PR1NR1H4GABRA5BCHEACHE
SCHEMBL796133 0.89 S1PR1 (0.43) ATRS1PR1NR1H4NPC1RAB9A
SCHEMBL797145 0.87 TP53 (0.36) S1PR1NR1H4NPC1RAB9APKM
SCHEMBL796412 0.87 GABRA5 (0.37) ATRS1PR1NR1H4NPC1RAB9A
SCHEMBL796052 0.87 GABRA5 (0.37) ATRS1PR1NR1H4NPC1RAB9A
SCHEMBL795542 0.87 SCN9A (0.41) S1PR1L3MBTL1GABRA5BCHEACHE
SCHEMBL796391 0.86 DHFR (0.38) ATRNR1H4NPC1RAB9APKM
SCHEMBL796207 0.86 PIK3CA (0.37) S1PR1L3MBTL1PIK3CAGABRA5BCHE

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 ADORA2A 244/4885ADORA1 565/4885ATR 3900/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ADORA2A 244/4885ADORA1 565/4885ATR 3900/4885

“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.