SCHEMBL795269

SCHEMBL795269

Nc1nc(Nc2ccccc2)nc(-c2noc(-c3ccc(OCCC(F)(F)F)nc3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
CHRNA7 P36544 1/20 0.38
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCN9A Q15858 4/20 0.36
GABRA5 P31644 1/20 0.36
HTT P42858 2/20 0.35
BLM P54132 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL795752 0.91 KMT2A (0.43) EPHX2CHRNA7MAPTKMT2ANPC1
SCHEMBL807919 0.90 MAPT (0.38) CHRNA7MAPTKMT2ANPC1RAB9A
SCHEMBL796276 0.85 NPC1 (0.37) CHRNA7MAPTKMT2ANPC1RAB9A
SCHEMBL15476937 0.82 GABRA5 (0.36) EPHX2SCN9AGABRA5BCHEACHE
SCHEMBL795333 0.81 PIK3CA (0.41) CHRNA7MAPTKMT2ANPC1RAB9A
SCHEMBL795751 0.79 L3MBTL1 (0.45) KMT2AMEN1ALDH1A1GABRA5LMNA
SCHEMBL796172 0.79 KMT2A (0.39) CHRNA7MAPTKMT2ANPC1RAB9A
SCHEMBL15477413 0.78 BACE2 (0.39) CHRNA7GABRA5NPSR1
SCHEMBL796256 0.77 ROCK1 (0.42) CHRNA7MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL794750 0.77 SYK (0.41) CDK9ALOX5AP

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 EPHX2 1549/4885CHRNA7 813/4885MAPT 2602/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 EPHX2 1549/4885CHRNA7 813/4885MAPT 2602/4885

“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.