SCHEMBL795750

SCHEMBL795750

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccnn3C)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX5AP P20292 1/20 0.35
DHFR P00374 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL796146 0.83 MAPT (0.35) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL795411 0.82 PKM (0.39) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL795503 0.82 NR1H4 (0.47) TSHRL3MBTL1DHFRMAPTALDH1A1
SCHEMBL796191 0.81 SMN1; SMN2 (0.51) TSHRMAPTALDH1A1NPC1RAB9A
SCHEMBL795600 0.80 TSHR (0.37) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL795360 0.80 PKM (0.48) TSHRL3MBTL1MAPTALDH1A1NPC1
SCHEMBL795124 0.79 SMN1; SMN2 (0.35) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL795734 0.79 MAPT (0.35) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL796424 0.79 NPC1 (0.48) L3MBTL1MAPK1MAPTALDH1A1NPC1
SCHEMBL795514 0.78 RAB9A (0.53) TSHRL3MBTL1MAPK1DHFRMAPT

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 14 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-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-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
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 TSHR 1712/4885L3MBTL1 4747/4885CYP1A2 32/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 TSHR 1712/4885L3MBTL1 4747/4885CYP1A2 32/4885

“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.