SCHEMBL796401

SCHEMBL796401

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(S(=O)(=O)CCC(F)(F)F)nc3)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ATM Q13315 2/20 0.32
ATR Q13535 2/20 0.32
PRKDC P78527 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL10286922 0.84 S1PR1 (0.33) S1PR1S1PR3HDAC4HDAC8HDAC6
SCHEMBL15476937 0.83 GABRA5 (0.36) S1PR1ATRHDAC8HDAC6ALOX5AP
SCHEMBL796380 0.82 S1PR1 (0.31) S1PR1S1PR3HDAC4HDAC8HDAC6
SCHEMBL796335 0.82 ATM (0.33) S1PR1S1PR3ATMATRPRKDC
SCHEMBL15477122 0.80 CASP3 (0.40) S1PR1S1PR3ATMATRPRKDC
SCHEMBL795542 0.80 SCN9A (0.41) S1PR1S1PR3HDAC4HDAC8HDAC6
SCHEMBL796017 0.80 LIPE (0.33) S1PR1S1PR3HDAC4HDAC8HDAC6
SCHEMBL795863 0.80 S1PR1 (0.31) S1PR1S1PR3
SCHEMBL794771 0.79 HDAC4 (0.40) S1PR1HDAC4HDAC6ALOX5AP
SCHEMBL796016 0.79 TP53 (0.35) PTGS1PTGS2

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 PPARD 47/4885S1PR1 2345/4885S1PR3 1511/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 PPARD 47/4885S1PR1 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.