SCHEMBL796450

SCHEMBL796450

Nc1nc(Nc2ccccc2)nc(-c2noc(N3CCC(COCC4CC4)CC3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN9A Q15858 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
USP2 O75604 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL794310 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EL3MBTL1TDP1MAPT
SCHEMBL17226431 0.89 L3MBTL1 (0.39) SMN1; SMN2KDM4EL3MBTL1TDP1MAPT
SCHEMBL808031 0.89 L3MBTL1 (0.39) SMN1; SMN2KDM4EL3MBTL1TDP1MAPT
SCHEMBL794707 0.89 L3MBTL1 (0.39) SMN1; SMN2KDM4EL3MBTL1TDP1MAPT
SCHEMBL796263 0.89 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EL3MBTL1TDP1MAPT
SCHEMBL15477225 0.85 MAPT (0.50) SMN1; SMN2KDM4EL3MBTL1TDP1MAPT
SCHEMBL796310 0.84 MAPT (0.42) SMN1; SMN2KDM4EL3MBTL1TDP1MAPT
SCHEMBL795836 0.83 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EL3MBTL1TDP1SCN9A
SCHEMBL794305 0.82 KDM4E (0.53) SMN1; SMN2KDM4EL3MBTL1TDP1MAPT
SCHEMBL795864 0.81 L3MBTL1 (0.39) L3MBTL1MAPTALDH1A1NPC1RAB9A

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 SMN1; SMN2 1684/4885KDM4E 3067/4885L3MBTL1 4747/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885KDM4E 3067/4885L3MBTL1 4747/4885

“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.