Sugi Predict

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SCHEMBL796519

SCHEMBL796519

CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CN(S(=O)(=O)CC(F)(F)F)C3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ KCNT2 Q6UVM3 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ GRM5 P41594 8/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL796192 0.93 LMNA (0.43) LMNATSHRNPSR1SMN1; SMN2HTT
SCHEMBL796389 0.92 LMNA (0.48) LMNATSHRNPSR1SMN1; SMN2HTT
SCHEMBL796302 0.91 LMNA (0.41) LMNATSHRKCNT2NPSR1SMN1; SMN2
SCHEMBL15477286 0.88 SMN1; SMN2 (0.44) LMNATSHRKCNT2NPSR1SMN1; SMN2
SCHEMBL15476843 0.86 FAAH (0.35) KCNT2GRM5FAAHMGLL
SCHEMBL15477390 0.86 GRM5 (0.38) LMNATSHRKCNT2NPSR1SMN1; SMN2
SCHEMBL796115 0.86 FAAH (0.36) TSHRKCNT2SMN1; SMN2GAAGRM5
SCHEMBL795438 0.85 GRM5 (0.48) LMNAKCNT2NPSR1SMN1; SMN2HTT
SCHEMBL795391 0.83 SMN1; SMN2 (0.39) LMNATSHRNPSR1SMN1; SMN2HTT
SCHEMBL795399 0.83 ALDH1A1 (0.33) LMNATSHRNPSR1SMN1; SMN2HTT

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 LMNA 4798/4885TSHR 1712/4885KCNT2 1053/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 LMNA 4798/4885TSHR 1712/4885KCNT2 1053/4885

“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.