SCHEMBL795632

SCHEMBL795632

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(OC4CCOCC4)nc3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.45
PIK3R1 P27986 2/20 0.38
GABRA5 P31644 2/20 0.35
SCN9A Q15858 3/20 0.35
HDAC6 Q9UBN7 1/20 0.34
SYK P43405 2/20 0.34
MTOR P42345 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SCN5A Q14524 1/20 0.33
BRAF P15056 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 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
SCHEMBL794759 0.95 PIK3CA (0.40) PIK3CAPIK3R1GABRA5SCN9AMTOR
SCHEMBL796207 0.93 PIK3CA (0.37) PIK3CAGABRA5ALOX5AP
SCHEMBL795796 0.93 PIK3CA (0.37) PIK3CAGABRA5ALOX5AP
SCHEMBL795698 0.92 PIK3CA (0.36) PIK3CAGABRA5ALOX5AP
SCHEMBL797058 0.87 ATM (0.36) PIK3CA
SCHEMBL795820 0.84 ADORA2A (0.40) PIK3CAGABRA5NPC1RAB9A
SCHEMBL796122 0.84 GABRA5 (0.38) GABRA5
SCHEMBL794683 0.83 NPC1 (0.40) PIK3CAGABRA5MTORNPC1RAB9A
SCHEMBL795020 0.83 ADORA2A (0.38) PIK3CAGABRA5HDAC6NPC1RAB9A
SCHEMBL796133 0.82 S1PR1 (0.43) PIK3CAGABRA5NPC1RAB9A

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 PIK3CA 2806/4885PIK3R1 4203/4885GABRA5 116/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 PIK3CA 2806/4885PIK3R1 4203/4885GABRA5 116/4885

“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.