SCHEMBL796017

SCHEMBL796017

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.33
S1PR1 P21453 4/20 0.32
S1PR3 Q99500 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GRM5 P41594 1/20 0.32
MAPT P10636 3/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
RAB9A P51151 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
SLC12A5 Q9H2X9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL796380 0.91 S1PR1 (0.31) S1PR1S1PR3HDAC4HDAC8HDAC6
SCHEMBL795362 0.87 HDAC6 (0.33) S1PR1S1PR3HDAC4HDAC8HDAC6
SCHEMBL794868 0.86 LIPE (0.33) LIPEMAPTBCHEACHESLC12A5
SCHEMBL10286922 0.85 S1PR1 (0.33) S1PR1S1PR3HDAC4HDAC8HDAC6
SCHEMBL15477122 0.84 CASP3 (0.40) S1PR1S1PR3HDAC4HDAC8HDAC6
SCHEMBL795542 0.84 SCN9A (0.41) S1PR1S1PR3HDAC4HDAC8HDAC6
SCHEMBL15476937 0.83 GABRA5 (0.36) S1PR1HDAC8HDAC6BCHEACHE
SCHEMBL794771 0.83 HDAC4 (0.40) S1PR1HDAC4HDAC6
SCHEMBL796016 0.83 TP53 (0.35) GRM5MAPTBCHEACHERAB9A
SCHEMBL797145 0.82 TP53 (0.36) S1PR1MAPTBCHEACHERAB9A

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 LIPE 3132/4885S1PR1 2345/4885S1PR3 1511/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 LIPE 3132/4885S1PR1 2345/4885S1PR3 1511/4885

“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.