SCHEMBL796303

SCHEMBL796303

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
S1PR1 P21453 12/20 0.36
GABRA5 P31644 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR3 Q99500 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DHFR P00374 1/20 0.32
NR1H4 Q96RI1 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
SCHEMBL795542 0.90 SCN9A (0.41) S1PR1GABRA5BCHEACHES1PR3
SCHEMBL795820 0.89 ADORA2A (0.40) S1PR1GABRA5BCHEACHENR1H4
SCHEMBL15476937 0.89 GABRA5 (0.36) S1PR1GABRA5BCHEACHEHDAC8
SCHEMBL795296 0.88 S1PR1 (0.35) GRM5S1PR1GABRA5BCHEACHE
SCHEMBL794683 0.87 NPC1 (0.40) S1PR1GABRA5BCHEACHES1PR3
SCHEMBL796133 0.86 S1PR1 (0.43) S1PR1GABRA5BCHEACHEDHFR
SCHEMBL15477122 0.86 CASP3 (0.40) S1PR1S1PR3HDAC4HDAC8HDAC6
SCHEMBL796052 0.86 GABRA5 (0.37) S1PR1GABRA5BCHEACHEDHFR
SCHEMBL796094 0.86 SCN9A (0.36) S1PR1GABRA5BCHEACHES1PR3
SCHEMBL796016 0.85 TP53 (0.35) GRM5BCHEACHEDHFRNR1H4

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 GRM5 67/4885S1PR1 2345/4885GABRA5 116/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GRM5 67/4885S1PR1 2345/4885GABRA5 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.