SCHEMBL795599

SCHEMBL795599

Nc1nc(Nc2ccccc2)nc(-c2noc(-c3ccc(COCC(F)(F)F)cn3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PIK3CA P42336 1/20 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
HTT P42858 2/20 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
SCHEMBL795333 0.82 PIK3CA (0.41) KMT2AMEN1LMNAL3MBTL1TDP1
SCHEMBL795949 0.81 HDAC4 (0.33) HDAC4HDAC1PIK3CASTAT3
SCHEMBL795752 0.77 KMT2A (0.43) KMT2AMEN1LMNAL3MBTL1TDP1
SCHEMBL796482 0.75 KMT2A (0.43) KMT2AMEN1LMNAL3MBTL1TDP1
SCHEMBL795935 0.75 RAB9A (0.48) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL796172 0.73 KMT2A (0.39) KMT2AMEN1LMNAL3MBTL1TDP1
SCHEMBL795269 0.72 EPHX2 (0.39) KMT2AMEN1LMNAL3MBTL1TDP1
SCHEMBL796276 0.71 NPC1 (0.37) KMT2AMEN1LMNAL3MBTL1TDP1
SCHEMBL795790 0.71 AURKA (0.41) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL797110 0.71 KMT2A (0.44) KMT2AMEN1LMNAL3MBTL1TDP1

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 KMT2A 3938/4885MEN1 4842/4885LMNA 4798/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KMT2A 3938/4885MEN1 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.