SCHEMBL795935

SCHEMBL795935

Nc1nc(Nc2ccccc2)nc(-c2noc(-c3ccccn3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.48
NPC1 O15118 11/20 0.48
SMN1; SMN2 Q16637 11/20 0.48
PKM P14618 8/20 0.48
TP53 P04637 8/20 0.48
KDM4E B2RXH2 4/20 0.47
ALOX15 P16050 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 5/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
KLF5 Q13887 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 2/20 0.45

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
SCHEMBL795602 0.88 GRM5 (0.52) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL30144801 0.85 KDM4E (0.65) RAB9ANPC1SMN1; SMN2KDM4EALOX15
SCHEMBL16402496 0.85 KDM4E (0.65) RAB9ANPC1SMN1; SMN2KDM4EALOX15
SCHEMBL796497 0.81 NPC1 (0.42) RAB9ANPC1SMN1; SMN2PKMKDM4E
SCHEMBL796837 0.81 CDK9 (0.46) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL797110 0.81 KMT2A (0.44) RAB9ANPC1SMN1; SMN2KDM4EALOX15
SCHEMBL795661 0.80 NPC1 (0.43) RAB9ANPC1SMN1; SMN2KDM4EALOX15
SCHEMBL795559 0.79 GRM5 (0.47) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL797199 0.79 GRM5 (0.45) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL795790 0.78 AURKA (0.41) RAB9ANPC1SMN1; SMN2KDM4EALOX15

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 RAB9A 4766/4885NPC1 3204/4885SMN1; SMN2 1684/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 RAB9A 4766/4885NPC1 3204/4885SMN1; SMN2 1684/4885

“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.