SCHEMBL796558

SCHEMBL796558

CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCN(S(=O)(=O)C4CC4)CC3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
APEX1 P27695 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 8/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ADRB2 P07550 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 6/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL797205 0.96 ALDH1A1 (0.42) ALDH1A1GAAMAPTMEN1CYP2C9
SCHEMBL795952 0.92 NPC1 (0.52) ALDH1A1GAAMAPTMEN1CYP2C9
SCHEMBL796126 0.91 LMNA (0.53) ALDH1A1GAAMAPTMEN1CYP2C9
SCHEMBL795802 0.90 ALDH1A1 (0.52) ALDH1A1GAAMAPTMEN1CYP2C9
SCHEMBL15477347 0.89 GAA (0.42) ALDH1A1GAAMAPTMEN1CYP2C9
SCHEMBL808231 0.88 LMNA (0.48) ALDH1A1GAAMAPTMEN1CYP2C9
SCHEMBL796560 0.87 LMNA (0.45) ALDH1A1GAAMAPTMEN1CYP2C9
SCHEMBL796230 0.86 ALDH1A1 (0.47) ALDH1A1GAAMAPTMEN1CYP2C9
SCHEMBL796389 0.86 LMNA (0.48) ALDH1A1GAAMAPTMEN1CYP2C9
SCHEMBL795606 0.86 LMNA (0.42) ALDH1A1GAAMAPTMEN1CYP2C9

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