SCHEMBL796795

SCHEMBL796795

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(CN4CCCC4)nc3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
S1PR3 Q99500 1/20 0.35
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
SYK P43405 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL795825 0.93 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL795739 0.85 S1PR1 (0.44) S1PR1NPC1RAB9AS1PR3ACHE
SCHEMBL797319 0.84 ALOX5AP (0.43) S1PR1NPC1RAB9AUSP2LMNA
SCHEMBL10287193 0.82 S1PR1 (0.33) S1PR1ACHEL3MBTL1
SCHEMBL796120 0.82 HDAC8 (0.40)
SCHEMBL797145 0.82 TP53 (0.36) S1PR1NPC1RAB9AACHESMN1; SMN2
SCHEMBL10286911 0.81 NPC1 (0.33) S1PR1NPC1RAB9AL3MBTL1USP2
SCHEMBL10286922 0.81 S1PR1 (0.33) S1PR1S1PR3ACHE
SCHEMBL796391 0.81 DHFR (0.38) NPC1RAB9AACHESMN1; SMN2LMNA
SCHEMBL796202 0.81 SCN9A (0.37) S1PR1NPC1RAB9ASMN1; SMN2

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 S1PR1 2345/4885NPC1 3204/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 S1PR1 2345/4885NPC1 3204/4885RAB9A 4766/4885

“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.