SCHEMBL796247

SCHEMBL796247

CC(C)OC(=O)c1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.36
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
S1PR1 P21453 2/20 0.34
ATR Q13535 3/20 0.33
ATM Q13315 2/20 0.33
PRKDC P78527 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
GABRA5 P31644 1/20 0.33
HDAC4 P56524 2/20 0.32
TPH1 P17752 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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 0.90 ALOX5AP (0.44) ALOX5APKMT2ANPC1TP53MAPT
SCHEMBL797312 0.88 NR1H4 (0.39) ALOX5APKMT2ANPC1TP53MAPT
SCHEMBL795883 0.87 ATR (0.35) ALOX5APKMT2ANPC1TP53MAPT
SCHEMBL796202 0.87 SCN9A (0.37) ALOX5APKMT2ANPC1TP53MAPT
SCHEMBL795660 0.86 ATR (0.41) ALOX5APKMT2ANPC1TP53MAPT
SCHEMBL795936 0.85 ALOX5AP (0.38) ALOX5APKMT2ANPC1TP53MAPT
SCHEMBL796133 0.83 S1PR1 (0.43) NPC1TP53MAPTPKMRAB9A
SCHEMBL796510 0.81 TP53 (0.37) KMT2ANPC1TP53MAPTPKM
SCHEMBL796337 0.81 MAPK14 (0.37) KMT2ANPC1RAB9ASMN1; SMN2S1PR1
SCHEMBL797145 0.81 TP53 (0.36) ALOX5APKMT2ANPC1TP53MAPT

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 ALOX5AP 305/4885KMT2A 3938/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALOX5AP 305/4885KMT2A 3938/4885NPC1 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.