Sugi Predict

Sugi Predict / Compounds / SCHEMBL795438

SCHEMBL795438

SCHEMBL795438

CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CN(S(=O)(=O)c4ccccc4)C3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 8/20 0.48
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KCNT2 Q6UVM3 2/20 0.40
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL796230 0.93 ALDH1A1 (0.47) GRM5ALDH1A1MAPTGAAMEN1
SCHEMBL795802 0.91 ALDH1A1 (0.52) ALDH1A1MAPTGAAMEN1CYP2C9
SCHEMBL796302 0.90 LMNA (0.41) GRM5ALDH1A1MAPTGAAMEN1
SCHEMBL15477390 0.88 GRM5 (0.38) GRM5ALDH1A1MAPTGAAMEN1
SCHEMBL15477286 0.86 SMN1; SMN2 (0.44) GRM5ALDH1A1MAPTGAAMEN1
SCHEMBL796519 0.85 LMNA (0.38) GRM5GAALMNANPSR1HSD17B10
SCHEMBL17219958 0.83 HSD11B1 (0.41) GRM5ALDH1A1MAPTSMN1; SMN2
SCHEMBL795952 0.83 NPC1 (0.52) ALDH1A1MAPTGAAMEN1CYP2C9
SCHEMBL15477137 0.83 LMNA (0.40) ALDH1A1MAPTGAAMEN1CYP2C9
SCHEMBL796393 0.83 HSD11B1 (0.41) GRM5ALDH1A1MAPTSMN1; SMN2

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 GRM5 67/4885ALDH1A1 439/4885MAPT 2602/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GRM5 67/4885ALDH1A1 439/4885MAPT 2602/4885

“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.