SCHEMBL795737

SCHEMBL795737

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncc(F)cc3F)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.35
PIK3CA P42336 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
GRM5 P41594 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH3 Q9ULD8 1/20 0.32

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
SCHEMBL796206 0.85 SMN1; SMN2 (0.34) DHFRMEN1KMT2AGRM5MAPT
SCHEMBL796527 0.83 GRM5 (0.38) DHFRPTGS1PTGS2GRM5MAPT
SCHEMBL797064 0.81 NPC1 (0.51) MEN1KMT2AMAPTTP53NPC1
SCHEMBL793651 0.81 RAB9A (0.43) PTGS1PTGS2MAPTTP53NPC1
SCHEMBL794788 0.80 SMN1; SMN2 (0.33) PIK3CAGRM5TP53NPC1GAA
SCHEMBL795929 0.80 PKM (0.39) DHFRMEN1KMT2AMAPTTP53
SCHEMBL795245 0.80 GRM5 (0.50) MEN1KMT2AGRM5MAPTTP53
SCHEMBL796330 0.80 GRM5 (0.39) DHFRPIK3CAMEN1KMT2AGRM5
SCHEMBL795858 0.80 NPC1 (0.40) DHFRMEN1KMT2AGRM5MAPT
SCHEMBL796775 0.80 DHFR (0.37) DHFRMEN1KMT2AGRM5MAPT

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 DHFR 1553/4885PIK3CA 2806/4885MEN1 4842/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 DHFR 1553/4885PIK3CA 2806/4885MEN1 4842/4885

“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.