SCHEMBL796230

SCHEMBL796230

CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4)C3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 6/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
APEX1 P27695 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 7/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HPGD P15428 2/20 0.46
ADRB2 P07550 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 3/20 0.42
TSHR P16473 2/20 0.42
RECQL P46063 2/20 0.42
GRM5 P41594 3/20 0.42
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL795802 0.95 ALDH1A1 (0.52) ALDH1A1MAPTGAAMEN1CYP2C9
SCHEMBL795438 0.93 GRM5 (0.48) ALDH1A1MAPTGAAMEN1CYP2C9
SCHEMBL15477137 0.89 LMNA (0.40) ALDH1A1MAPTGAAMEN1CYP2C9
SCHEMBL795952 0.87 NPC1 (0.52) ALDH1A1MAPTGAAMEN1CYP2C9
SCHEMBL15477246 0.87 SMN1; SMN2 (0.49) ALDH1A1MAPTGAAMEN1CYP2C9
SCHEMBL796558 0.86 ALDH1A1 (0.43) ALDH1A1MAPTGAAMEN1CYP2C9
SCHEMBL796126 0.86 LMNA (0.53) ALDH1A1MAPTGAAMEN1CYP2C9
SCHEMBL796192 0.86 LMNA (0.43) ALDH1A1MAPTGAAMEN1CYP2C9
SCHEMBL797205 0.85 ALDH1A1 (0.42) ALDH1A1MAPTGAAMEN1CYP2C9
SCHEMBL15477347 0.85 GAA (0.42) ALDH1A1MAPTGAAMEN1CYP2C9

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 ALDH1A1 439/4885MAPT 2602/4885GAA 3290/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885MAPT 2602/4885GAA 3290/4885

“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.