SCHEMBL795445

SCHEMBL795445

CN(c1nc(N)nc(-c2noc(-c3ccc(OCC4CC4)nc3)n2)n1)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.39
GABRA5 P31644 3/20 0.35
CNR2 P34972 1/20 0.34
S1PR1 P21453 1/20 0.33
KLKB1 P03952 1/20 0.33
BCHE P06276 1/20 0.33
PIK3CA P42336 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
SCHEMBL794640 0.94 ACHE (0.38) ACHEGABRA5S1PR1KLKB1
SCHEMBL796122 0.88 GABRA5 (0.38) ACHEGABRA5CNR2S1PR1BCHE
SCHEMBL796557 0.86 SCN9A (0.38) ACHEGABRA5S1PR1BCHE
SCHEMBL795645 0.86 ACHE (0.40) ACHEGABRA5CNR2S1PR1
SCHEMBL15476996 0.80 SMN1; SMN2 (0.40) ACHEGABRA5CNR2S1PR1
SCHEMBL797201 0.80 SCN9A (0.37) GABRA5S1PR1PIK3CA
SCHEMBL795199 0.77 HDAC1 (0.34) GABRA5S1PR1PIK3CA
SCHEMBL808037 0.77 DHFR (0.38) S1PR1
SCHEMBL807780 0.77 ACHE (0.38) ACHEGABRA5CNR2S1PR1KLKB1
SCHEMBL794683 0.76 NPC1 (0.40) ACHEGABRA5S1PR1BCHEPIK3CA

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 ACHE 260/4885GABRA5 116/4885CNR2 15/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ACHE 260/4885GABRA5 116/4885CNR2 15/4885

“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.