SCHEMBL796245

SCHEMBL796245

CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCC(NC(=O)OC(C)(C)C)CC3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
KIT P10721 1/20 0.39
SMO Q99835 2/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
EPHX2 P34913 5/20 0.37
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 1/20 0.37
CACNA1C Q13936 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 2/20 0.36
AURKA O14965 2/20 0.35
PDPK1 O15530 2/20 0.35
AURKB Q96GD4 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
SCHEMBL796574 0.86 EPHX2 (0.38) SMOEPHX2KCNH2CYP3A4CACNA1C
SCHEMBL796946 0.85 EPHX2 (0.38) SMOEPHX2KCNH2CYP3A4CACNA1C
SCHEMBL796183 0.84 SMYD3 (0.38) SMOEPHX2KCNH2CYP3A4CACNA1C
SCHEMBL795664 0.84 SMN1; SMN2 (0.43) SMOKMT2A
SCHEMBL794944 0.84 SMYD3 (0.39) SMOEPHX2KCNH2CYP3A4CACNA1C
SCHEMBL15476997 0.82 FAAH (0.45)
SCHEMBL796520 0.82 CHRM2 (0.36) KITSMOL3MBTL1
SCHEMBL15477232 0.81 USP30 (0.43) SMO
SCHEMBL795712 0.81 NPC1 (0.37) SMOEPHX2KMT2AL3MBTL1
SCHEMBL795636 0.80 NPC1 (0.38) KDM1AMAOBKMT2AL3MBTL1

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 13 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

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 LIPG 4546/4885KDM1A 3623/4885MAOB 583/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 LIPG 4546/4885KDM1A 3623/4885MAOB 583/4885

“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.