SCHEMBL796445

SCHEMBL796445

COc1cc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.48
ALOX5AP P20292 1/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
PKM P14618 2/20 0.40
GRM5 P41594 2/20 0.40
TP53 P04637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP30 Q70CQ3 1/20 0.37
HSP90AA1 P07900 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
S1PR3 Q99500 3/20 0.37

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
SCHEMBL808028 0.87 S1PR1 (0.40) S1PR1GRM5S1PR3
SCHEMBL795820 0.85 ADORA2A (0.40) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL795939 0.84 NPC1 (0.60) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL796191 0.83 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL795503 0.83 NR1H4 (0.47) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL795682 0.82 GRM5 (0.51) NPC1RAB9ASMN1; SMN2GRM5TP53
SCHEMBL795425 0.82 NR1H4 (0.56) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL795514 0.81 RAB9A (0.53) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL795411 0.81 PKM (0.39) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL795472 0.81 NPC1 (0.35) S1PR1NPC1RAB9ASMN1; SMN2PKM

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 S1PR1 2345/4885ALOX5AP 305/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 S1PR1 2345/4885ALOX5AP 305/4885NPC1 3204/4885

“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.