SCHEMBL795451

SCHEMBL795451

Nc1nc(Nc2cccc(F)c2)nc(-c2noc(C(=O)N[C@@H]3CCOC3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 1/20 0.38
TTK P33981 1/20 0.38
DYRK1A Q13627 1/20 0.37
GSK3B P49841 1/20 0.37
KCNH2 Q12809 1/20 0.37
PIP5K1C O60331 1/20 0.37
PIK3CA P42336 1/20 0.37
HPGDS O60760 1/20 0.37
RAB9A P51151 2/20 0.37
CNR2 P34972 1/20 0.37
GABRA5 P31644 2/20 0.36
MAP4K4 O95819 1/20 0.36
NPC1 O15118 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
BRAF P15056 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
SCHEMBL808334 0.93 MAP4K4 (0.42) MAPK1CYP3A4TTKGSK3BRAB9A
SCHEMBL796061 0.89 GRM5 (0.43) RAB9ANPC1
SCHEMBL796014 0.89 NPC1 (0.44) RAB9ANPC1
SCHEMBL808335 0.86 TP53 (0.39) MAPK1DYRK1AGSK3BRAB9ANPC1
SCHEMBL793556 0.80 CDK2 (0.43) MAPK1DYRK1AGSK3BRAB9ANPC1
SCHEMBL795741 0.79 SMN1; SMN2 (0.43) MAPK1GSK3BRAB9ANPC1
SCHEMBL10286909 0.79 MAPK1 (0.34) MAPK1GSK3BRAB9ANPC1
SCHEMBL15477324 0.79 MAPK1 (0.49) MAPK1RAB9ANPC1
SCHEMBL795502 0.78 CYP2D6 (0.45) GSK3BRAB9ANPC1
SCHEMBL797068 0.78 CYP2D6 (0.48) GSK3BRAB9ANPC1

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 11 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-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
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 NAMPT 2748/4885MAPK1 3234/4885CYP3A4 120/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NAMPT 2748/4885MAPK1 3234/4885CYP3A4 120/4885

“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.