SCHEMBL795595

SCHEMBL795595

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cccc(N4CCOCC4)n3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
PIK3CA P42336 7/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CD O00329 1/20 0.36
AKT1 P31749 5/20 0.36
PDE10A Q9Y233 1/20 0.36
MTOR P42345 3/20 0.36
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NSD2 O96028 1/20 0.34

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
SCHEMBL795473 0.83 PKM (0.50) PKMALDH1A1TSHRLMNAPIK3CA
SCHEMBL795513 0.81 DHFR (0.37) PKMMAPTHSD17B10L3MBTL1
SCHEMBL795590 0.80 PKM (0.43) PKMALDH1A1TSHRLMNAPIK3CA
SCHEMBL795472 0.78 NPC1 (0.35) PKMALDH1A1MAPTHSD17B10TDP1
SCHEMBL795360 0.78 PKM (0.48) PKMALDH1A1TSHRLMNAMAPT
SCHEMBL795600 0.76 TSHR (0.37) ALDH1A1TSHRLMNAMAPTMAPK1
SCHEMBL796055 0.76 ALOX5AP (0.36) PKMALDH1A1TSHRLMNAMAPT
SCHEMBL795503 0.76 NR1H4 (0.47) PKMALDH1A1TSHRLMNAMAPT
SCHEMBL797319 0.75 ALOX5AP (0.43) TSHRLMNAHSD17B10HTT
SCHEMBL795325 0.74 RAB9A (0.45) PKMALDH1A1TSHRLMNAMAPT

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 14 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
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 PKM 1412/4885ALDH1A1 439/4885TSHR 1712/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 PKM 1412/4885ALDH1A1 439/4885TSHR 1712/4885

“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.