SCHEMBL796412

SCHEMBL796412

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.37
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ATR Q13535 2/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 1/20 0.32
S1PR1 P21453 2/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
TP53 P04637 1/20 0.31

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 0.89 NPC1 (0.40) GABRA5BCHEACHEKDM4ERAB9A
SCHEMBL795820 0.87 ADORA2A (0.40) GABRA5BCHEACHEATRRAB9A
SCHEMBL796447 0.86 PIK3CA (0.38) GABRA5BCHEACHEATRKDM4E
SCHEMBL795542 0.85 SCN9A (0.41) GABRA5BCHEACHEPOLBS1PR1
SCHEMBL796052 0.85 GABRA5 (0.37) GABRA5BCHEACHEATRKDM4E
SCHEMBL796122 0.85 GABRA5 (0.38) GABRA5BCHEACHES1PR1
SCHEMBL15476937 0.85 GABRA5 (0.36) GABRA5BCHEACHEATRALOX5AP
SCHEMBL796133 0.84 S1PR1 (0.43) GABRA5BCHEACHEATRKDM4E
SCHEMBL796303 0.84 GRM5 (0.37) GABRA5BCHEACHES1PR1NR1H4
SCHEMBL808199 0.84 ALOX5AP (0.40) BCHEACHEATRKDM4ERAB9A

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 GABRA5 116/4885BCHE 4196/4885ACHE 260/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GABRA5 116/4885BCHE 4196/4885ACHE 260/4885

“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.