SCHEMBL795333

SCHEMBL795333

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
HDAC6 Q9UBN7 12/20 0.39
HDAC1 Q13547 10/20 0.39
HDAC5 Q9UQL6 7/20 0.39
HDAC8 Q9BY41 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNA7 P36544 1/20 0.37
ALDH1A1 P00352 2/20 0.36
IMPDH2 P12268 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL796276 0.86 NPC1 (0.37) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL795752 0.86 KMT2A (0.43) PIK3CAHDAC6HDAC1HDAC5HDAC8
SCHEMBL15477140 0.85 CHRNA7 (0.38) HDAC6HDAC1HDAC5HDAC8MEN1
SCHEMBL795633 0.85 CNR2 (0.36) MEN1KMT2AL3MBTL1ALDH1A1IMPDH2
SCHEMBL795599 0.82 KMT2A (0.39) PIK3CAHDAC1MEN1KMT2ALMNA
SCHEMBL795506 0.81 HDAC6 (0.38) PIK3CAHDAC6HDAC1HDAC5HDAC8
SCHEMBL796172 0.81 KMT2A (0.39) HDAC6HDAC1MEN1KMT2ALMNA
SCHEMBL796285 0.81 MAPT (0.36) HDAC6HDAC1HDAC5HDAC8MEN1
SCHEMBL795269 0.81 EPHX2 (0.39) MEN1KMT2ALMNATDP1L3MBTL1
SCHEMBL796013 0.78 HDAC6 (0.37) PIK3CAHDAC6HDAC1HDAC5HDAC8

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 PIK3CA 2806/4885HDAC6 130/4885HDAC1 288/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 PIK3CA 2806/4885HDAC6 130/4885HDAC1 288/4885

“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.