SCHEMBL796335

SCHEMBL796335

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.33
ATR Q13535 2/20 0.33
PRKDC P78527 1/20 0.33
HDAC6 Q9UBN7 11/20 0.32
HDAC1 Q13547 10/20 0.32
HDAC8 Q9BY41 10/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
S1PR1 P21453 2/20 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
S1PR3 Q99500 1/20 0.31
HDAC4 P56524 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 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 0.85 S1PR1 (0.33) HDAC6HDAC1HDAC8HDAC5S1PR1
SCHEMBL795362 0.83 HDAC6 (0.33) HDAC6HDAC1HDAC8HDAC5S1PR1
SCHEMBL795506 0.83 HDAC6 (0.38) HDAC6HDAC1HDAC8HDAC5S1PR1
SCHEMBL795509 0.82 S1PR1 (0.32) HDAC6HDAC1HDAC8HDAC5S1PR1
SCHEMBL795739 0.82 S1PR1 (0.44) ATRS1PR1S1PR3BCHEACHE
SCHEMBL17220193 0.82 CA2 (0.33) ATMATRPRKDCHDAC6HDAC1
SCHEMBL15477342 0.82 HDAC6 (0.35) HDAC6HDAC1HDAC8HDAC5S1PR1
SCHEMBL796401 0.82 PPARD (0.33) ATMATRPRKDCHDAC6HDAC8
SCHEMBL15477122 0.80 CASP3 (0.40) ATMATRPRKDCHDAC6HDAC8
SCHEMBL795542 0.80 SCN9A (0.41) HDAC6HDAC1HDAC8HDAC5S1PR1

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
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 ATM 3255/4885ATR 3900/4885PRKDC 3539/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ATM 3255/4885ATR 3900/4885PRKDC 3539/4885

“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.