SCHEMBL795751

SCHEMBL795751

FC(F)(F)CNc1nc(Nc2ccccc2)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
IDH2 P48735 2/20 0.41
IDH1 O75874 2/20 0.40
HDAC6 Q9UBN7 4/20 0.38
HDAC4 P56524 2/20 0.38
MGAT2 Q10469 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
GABRA5 P31644 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
KCNH3 Q9ULD8 1/20 0.36
S1PR1 P21453 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 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
SCHEMBL797045 0.89 KCNH3 (0.52) L3MBTL1MEN1LMNAKMT2ATDP1
SCHEMBL29561209 0.89 KCNH3 (0.52) L3MBTL1MEN1LMNAKMT2ATDP1
SCHEMBL795752 0.89 KMT2A (0.43) L3MBTL1MEN1LMNAKMT2ATDP1
SCHEMBL808019 0.84 SCN9A (0.39) L3MBTL1NPSR1HDAC6HDAC4MGAT2
SCHEMBL795269 0.79 EPHX2 (0.39) L3MBTL1MEN1LMNAKMT2ATDP1
SCHEMBL3749726 0.78 NR1H4 (0.50) L3MBTL1NPSR1HDAC6HDAC4ALDH1A1
SCHEMBL15477413 0.76 BACE2 (0.39) NPSR1HDAC6GABRA5HDAC1HDAC8
SCHEMBL807919 0.76 MAPT (0.38) L3MBTL1MEN1KMT2AALDH1A1GABRA5
SCHEMBL796256 0.75 ROCK1 (0.42) L3MBTL1LMNAHDAC6GABRA5HDAC1
SCHEMBL794750 0.75 SYK (0.41) MGAT2S1PR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 L3MBTL1 4747/4885MEN1 4842/4885LMNA 4798/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885MEN1 4842/4885LMNA 4798/4885

“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.