SCHEMBL796131

SCHEMBL796131

COc1cccc(N(C)c2nc(N)nc(-c3noc(-c4ccco4)n3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.45
TP53 P04637 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 5/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 11/20 0.44
NPC1 O15118 10/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
USP2 O75604 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.42
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
ADORA3 P0DMS8 2/20 0.41

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
SCHEMBL795920 0.89 SMN1; SMN2 (0.48) SMN1; SMN2TP53MEN1KMT2ANFKB1
SCHEMBL796148 0.87 TSHR (0.41) SMN1; SMN2TP53MEN1KMT2ANFKB1
SCHEMBL795368 0.87 NPC1 (0.40) SMN1; SMN2TP53MEN1KMT2ANFKB1
SCHEMBL795474 0.86 CASP3 (0.46) SMN1; SMN2TP53MEN1KMT2ANFKB1
SCHEMBL795410 0.85 RAB9A (0.47) SMN1; SMN2TP53MEN1KMT2ANFKB1
SCHEMBL807779 0.84 ADORA2A (0.40) SMN1; SMN2TP53MEN1KMT2ANFKB1
SCHEMBL797127 0.83 NPC1 (0.50) SMN1; SMN2TP53MEN1KMT2ANFKB1
SCHEMBL795939 0.83 NPC1 (0.60) SMN1; SMN2TP53MEN1KMT2ANFKB1
SCHEMBL794699 0.82 NPC1 (0.50) SMN1; SMN2TP53MEN1KMT2ANFKB1
SCHEMBL795092 0.81 RAB9A (0.43) SMN1; SMN2TP53MEN1KMT2ANFKB1

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 SMN1; SMN2 1684/4885TP53 4729/4885MEN1 4842/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885TP53 4729/4885MEN1 4842/4885

“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.