SCHEMBL795514

SCHEMBL795514

Cc1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
NFKB1 P19838 4/20 0.53
NFKB2 Q00653 4/20 0.53
RELA Q04206 4/20 0.53
TP53 P04637 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 2/20 0.48
NR1H4 Q96RI1 5/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL795503 0.93 NR1H4 (0.47) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL793651 0.89 RAB9A (0.43) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL795543 0.89 NPC1 (0.47) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL796191 0.88 SMN1; SMN2 (0.51) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL795425 0.87 NR1H4 (0.56) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL795682 0.87 GRM5 (0.51) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL796391 0.86 DHFR (0.38) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL796186 0.86 RAB9A (0.38) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL796775 0.86 DHFR (0.37) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL795186 0.85 CA9 (0.46) RAB9ANPC1NFKB1NFKB2RELA

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 RAB9A 4766/4885NPC1 3204/4885NFKB1 492/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 RAB9A 4766/4885NPC1 3204/4885NFKB1 492/4885

“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.