Sugi Predict

Sugi Predict / Compounds / SCHEMBL796927

SCHEMBL796927

SCHEMBL796927

Cc1cc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.41
▸ SRC P12931 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ MAPT P10636 6/20 0.41
▸ TP53 P04637 5/20 0.41
▸ ALOX5AP P20292 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ DHFR P00374 2/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ CPT1B Q92523 1/20 0.35
▸ AURKB Q96GD4 1/20 0.33

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
SCHEMBL15477439 0.86 TP53 (0.38) AURKASRCGSK3BMAPTTP53
SCHEMBL794285 0.84 RAB9A (0.42) MAPTL3MBTL1KDM4ENPC1HSD17B10
SCHEMBL795513 0.81 DHFR (0.37) MAPTTP53L3MBTL1NPC1GAA
SCHEMBL795503 0.81 NR1H4 (0.47) MAPTTP53L3MBTL1KDM4ENPC1
SCHEMBL795360 0.80 PKM (0.48) MAPTTP53L3MBTL1KDM4ENPC1
SCHEMBL798731 0.80 DHFR (0.34) MAPTTP53L3MBTL1KDM4ENPC1
SCHEMBL795514 0.79 RAB9A (0.53) MAPTTP53L3MBTL1KDM4ENPC1
SCHEMBL795690 0.79 NPC1 (0.48) MAPTTP53L3MBTL1KDM4ENPC1
SCHEMBL795411 0.78 PKM (0.39) MAPTTP53L3MBTL1KDM4ENPC1
SCHEMBL795600 0.78 TSHR (0.37) MAPTALOX5APL3MBTL1KDM4ENPC1

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 AURKA 3350/4885SRC 1688/4885GSK3B 286/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 AURKA 3350/4885SRC 1688/4885GSK3B 286/4885

“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.