Sugi Predict

Sugi Predict / Compounds / SCHEMBL796232

SCHEMBL796232

SCHEMBL796232

CN(c1ccc(F)cc1)c1nc(N)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GABRA5 P31644 6/20 0.34
▸ HDAC1 Q13547 4/20 0.34
▸ HDAC8 Q9BY41 4/20 0.34
▸ HDAC6 Q9UBN7 4/20 0.34
▸ HDAC5 Q9UQL6 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CYP2J2 P51589 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL795542 0.92 SCN9A (0.41) SCN9ANPSR1GABRA5HDAC1HDAC8
SCHEMBL796048 0.91 SCN9A (0.38) SCN9ANPSR1GABRA5HDAC1HDAC8
SCHEMBL796334 0.91 SCN9A (0.39) SCN9ANPSR1HDAC1HDAC8HDAC6
SCHEMBL808037 0.89 DHFR (0.38) SCN9ANPSR1HDAC1HDAC8HDAC6
SCHEMBL795199 0.89 HDAC1 (0.34) SCN9ANPSR1GABRA5HDAC1HDAC8
SCHEMBL795546 0.88 ALDH1A1 (0.36) SCN9ANPSR1HDAC1HDAC8HDAC6
SCHEMBL795996 0.86 SCN9A (0.38) SCN9ANPSR1GABRA5HDAC1HDAC8
SCHEMBL796557 0.86 SCN9A (0.38) SCN9ANPSR1GABRA5HDAC1HDAC8
SCHEMBL796075 0.85 ALDH1A1 (0.38) SCN9ANPSR1GABRA5HDAC1HDAC8
SCHEMBL796094 0.84 SCN9A (0.36) SCN9ANPSR1GABRA5HDAC1HDAC8

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 SCN9A 1051/4885NPSR1 101/4885GABRA5 116/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SCN9A 1051/4885NPSR1 101/4885GABRA5 116/4885

“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.