SCHEMBL796077

SCHEMBL796077

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3NC3CCC3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.36
TP53 P04637 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
SLC2A1 P11166 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL795815 0.96 MERTK (0.34) MERTKTP53TRPV1SMN1; SMN2NPSR1
SCHEMBL795217 0.86 HIF1A (0.35) TRPM8L3MBTL1
SCHEMBL795610 0.84 S1PR1 (0.33) TP53KDM4ESMN1; SMN2KMT2AL3MBTL1
SCHEMBL10287138 0.84 ALDH1A1 (0.39) KDM4ESMN1; SMN2LMNAHTTKMT2A
SCHEMBL795276 0.82 SMN1; SMN2 (0.35) TP53KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL795929 0.81 PKM (0.39) TP53KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL796607 0.81 L3MBTL1 (0.32) TP53SMN1; SMN2NPSR1L3MBTL1MAPT
SCHEMBL808330 0.80 CNR2 (0.39) KDM4EKMT2AGAAALDH1A1RAB9A
SCHEMBL796206 0.80 SMN1; SMN2 (0.34) TP53KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL796278 0.80 GRM5 (0.39) TP53SMN1; SMN2KMT2ANPSR1L3MBTL1

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 11 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
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 MERTK 1892/4885TP53 4729/4885TRPV1 7/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MERTK 1892/4885TP53 4729/4885TRPV1 7/4885

“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.