SCHEMBL795019

SCHEMBL795019

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3CCN(S(=O)(=O)N(C)C)CC3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
SORD Q00796 3/20 0.34
PKM P14618 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10286919 0.89 GBA1 (0.36) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL795325 0.86 RAB9A (0.45) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL795399 0.86 ALDH1A1 (0.33) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL796379 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL796153 0.85 RAB9A (0.44) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL17220055 0.84 FAAH (0.40) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL795473 0.84 PKM (0.50) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL17220045 0.82 DPP4 (0.40) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL796506 0.81 L3MBTL1 (0.42) ALDH1A1L3MBTL1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL17220461 0.81 L3MBTL1 (0.42) ALDH1A1L3MBTL1NPC1RAB9ALMNA

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 ALDH1A1 439/4885L3MBTL1 4747/4885SMN1; SMN2 1684/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885L3MBTL1 4747/4885SMN1; 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.