SCHEMBL795505

SCHEMBL795505

COCCN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(C(=O)OC)nc3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.41
ATR Q13535 2/20 0.34
MCHR1 Q99705 1/20 0.34
MAPT P10636 5/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TP53 P04637 2/20 0.34
ATM Q13315 1/20 0.34
S1PR1 P21453 1/20 0.34
SMPD1 P17405 2/20 0.34
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.32
F9 P00740 1/20 0.32
KDM1A O60341 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL797183 0.86 ALOX5AP (0.44) ALOX5APATRMAPTNPC1RAB9A
SCHEMBL796101 0.85 S1PR1 (0.41) ALOX5APATRMCHR1MAPTNPC1
SCHEMBL795256 0.81 ALOX5AP (0.33) ALOX5APATRMAPTATMSMPD1
SCHEMBL795285 0.81 NPSR1 (0.38) ALOX5APATRS1PR1MAPK1BCHE
SCHEMBL796013 0.79 HDAC6 (0.37) ALOX5AP
SCHEMBL795379 0.78 ALOX5AP (0.46) ALOX5APMAPTNPC1RAB9ATP53
SCHEMBL796247 0.77 ALOX5AP (0.36) ALOX5APATRMAPTNPC1RAB9A
SCHEMBL797312 0.77 NR1H4 (0.39) ALOX5APATRMAPTNPC1RAB9A
SCHEMBL795883 0.76 ATR (0.35) ALOX5APATRMAPTNPC1RAB9A
SCHEMBL796202 0.76 SCN9A (0.37) ALOX5APATRMAPTNPC1RAB9A

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 ALOX5AP 305/4885ATR 3900/4885MCHR1 2594/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALOX5AP 305/4885ATR 3900/4885MCHR1 2594/4885

“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.