SCHEMBL795752

SCHEMBL795752

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRNA7 P36544 1/20 0.39
MGAT2 Q10469 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL795269 0.91 EPHX2 (0.39) KMT2AMEN1L3MBTL1NPSR1LMNA
SCHEMBL795751 0.89 L3MBTL1 (0.45) KMT2AMEN1L3MBTL1NPSR1LMNA
SCHEMBL807919 0.87 MAPT (0.38) KMT2AMEN1L3MBTL1CHRNA7MAPT
SCHEMBL15477413 0.87 BACE2 (0.39) NPSR1CHRNA7GABRA5HDAC6PIK3CA
SCHEMBL795333 0.86 PIK3CA (0.41) KMT2AMEN1L3MBTL1LMNATDP1
SCHEMBL794750 0.86 SYK (0.41) MGAT2S1PR1CDK9
SCHEMBL796256 0.86 ROCK1 (0.42) L3MBTL1LMNACHRNA7MAPTNPC1
SCHEMBL796467 0.85 MAPK1 (0.43) CHRNA7ALDH1A1MAPK1RECQLDGAT1
SCHEMBL796172 0.84 KMT2A (0.39) KMT2AMEN1L3MBTL1LMNATDP1
SCHEMBL29561209 0.84 KCNH3 (0.52) KMT2AMEN1L3MBTL1NPSR1LMNA

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 4842/4885L3MBTL1 4747/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KMT2A 3938/4885MEN1 4842/4885L3MBTL1 4747/4885

“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.