SCHEMBL808341

SCHEMBL808341

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cccnc3C(=O)OCC3CC3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.34
GRM5 P41594 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
S1PR1 P21453 3/20 0.32
KDM4E B2RXH2 3/20 0.31
GAA P10253 3/20 0.31
HSD17B10 Q99714 3/20 0.31
NPC1 O15118 2/20 0.31
TP53 P04637 2/20 0.31
PKM P14618 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CASP1 P29466 2/20 0.31
TSHR P16473 2/20 0.31
CNR2 P34972 1/20 0.31
GLA P06280 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
SCHEMBL808336 0.87 PTGIR (0.34) PTGIRGRM5HCRTR1HCRTR2NPC1
SCHEMBL796498 0.86 GRM5 (0.38) GRM5KDM4EGAAHSD17B10NPC1
SCHEMBL795653 0.86 KCNA5 (0.42) TP53ALDH1A1CNR2
SCHEMBL797207 0.86 KMT2A (0.34) GRM5HCRTR1HCRTR2KDM4EGAA
SCHEMBL796525 0.84 GRM5 (0.40) GRM5KDM4EGAAHSD17B10NPC1
SCHEMBL795733 0.83 GRM5 (0.35) GRM5HCRTR1HCRTR2KDM4EGAA
SCHEMBL796879 0.81 KDM4E (0.37) GRM5HCRTR1KDM4EGAAHSD17B10
SCHEMBL796331 0.78 ADORA2A (0.36) GRM5MAPTNPSR1ALDH1A1TSHR
SCHEMBL796711 0.78 NPC1 (0.38) GRM5KDM4EGAAHSD17B10NPC1
SCHEMBL795724 0.78 NPC1 (0.39) GRM5KDM4EGAAHSD17B10NPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 PTGIR 41/4885GRM5 67/4885HCRTR1 537/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 PTGIR 41/4885GRM5 67/4885HCRTR1 537/4885

“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.