SCHEMBL795660

SCHEMBL795660

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL797312 0.92 NR1H4 (0.39) ATRHDAC4HDAC8HDAC6RAB9A
SCHEMBL795883 0.91 ATR (0.35) ATRHDAC4HDAC8HDAC6RAB9A
SCHEMBL796202 0.91 SCN9A (0.37) ATRHDAC4HDAC8HDAC6RAB9A
SCHEMBL797183 0.89 ALOX5AP (0.44) ATRRAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL796247 0.86 ALOX5AP (0.36) ATRHDAC4HDAC8HDAC6RAB9A
SCHEMBL796510 0.85 TP53 (0.37) ATRRAB9ASMN1; SMN2NR1H4MAPT
SCHEMBL796337 0.85 MAPK14 (0.37) ATRHDAC1HDAC4HDAC8HDAC6
SCHEMBL797145 0.85 TP53 (0.36) RAB9ASMN1; SMN2NR1H4MAPTKMT2A
SCHEMBL795936 0.84 ALOX5AP (0.38) ATRRAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL796391 0.84 DHFR (0.38) ATRRAB9ASMN1; SMN2ADORA3NR1H4

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 ATR 3900/4885PIK3CD 2231/4885PIK3CA 2806/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ATR 3900/4885PIK3CD 2231/4885PIK3CA 2806/4885

“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.