SCHEMBL795398

SCHEMBL795398

Nc1nc(Nc2ccccc2)nc(-c2noc(C3CCN(S(=O)(=O)C4CC4)CC3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
TSHR P16473 3/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 2/20 0.42
HTT P42858 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SCN9A Q15858 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
KDM4E B2RXH2 4/20 0.41
EGFR P00533 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMO Q99835 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPK1 P28482 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39

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
SCHEMBL795707 0.96 TSHR (0.42) LMNATSHRHSD17B10GAAHTT
SCHEMBL795300 0.88 LMNA (0.42) LMNATSHRHSD17B10GAAHTT
SCHEMBL796081 0.88 LMNA (0.42) LMNATSHRHSD17B10GAAHTT
SCHEMBL797212 0.85 LMNA (0.43) LMNATSHRHSD17B10GAAHTT
SCHEMBL796558 0.80 ALDH1A1 (0.43) LMNATSHRHSD17B10GAAHTT
Hydrochloric Acid SCHEMBL17220234 0.79 NR1H4 (0.49) TSHRHSD17B10HTTNPC1RAB9A
SCHEMBL795576 0.78 GPR119 (0.45) GAASCN9ASMN1; SMN2KDM4ESMO
SCHEMBL797205 0.77 ALDH1A1 (0.42) LMNATSHRHSD17B10GAAHTT
SCHEMBL15477225 0.72 MAPT (0.50) LMNATSHRHSD17B10GAAHTT
SCHEMBL795952 0.71 NPC1 (0.52) LMNATSHRHSD17B10GAAHTT

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
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

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 LMNA 4798/4885TSHR 1712/4885HSD17B10 1535/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 LMNA 4798/4885TSHR 1712/4885HSD17B10 1535/4885

“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.