SCHEMBL795815

SCHEMBL795815

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3NC3CC3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.34
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL796077 0.96 MERTK (0.36) MERTKEHMT2EHMT1L3MBTL1TP53
SCHEMBL795217 0.87 HIF1A (0.35) L3MBTL1HIF1A
SCHEMBL808330 0.83 CNR2 (0.39) RAB9A
SCHEMBL795276 0.83 SMN1; SMN2 (0.35) L3MBTL1TP53TSHRCYP1A2CYP3A4
SCHEMBL795929 0.82 PKM (0.39) L3MBTL1TP53TSHRCYP1A2CYP3A4
SCHEMBL796607 0.82 L3MBTL1 (0.32) L3MBTL1TP53TSHRCYP1A2CYP3A4
SCHEMBL795610 0.82 S1PR1 (0.33) L3MBTL1TP53SMN1; SMN2NPC1PKM
SCHEMBL796206 0.81 SMN1; SMN2 (0.34) L3MBTL1TP53TSHRCYP1A2CYP3A4
SCHEMBL796278 0.81 GRM5 (0.39) L3MBTL1TP53TSHRCYP1A2CYP3A4
SCHEMBL795838 0.81 MAPT (0.37) L3MBTL1TP53TSHRCYP1A2CYP3A4

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
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 1892/4885CSNK2A2 287/4885CSNK2B 228/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MERTK 1892/4885CSNK2A2 287/4885CSNK2B 228/4885

“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.