SCHEMBL796133

SCHEMBL796133

CC(C)Oc1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.43
PIM1 P11309 3/20 0.36
PIM2 Q9P1W9 3/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
GABRA5 P31644 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ATM Q13315 2/20 0.33
ATR Q13535 2/20 0.33
PRKDC P78527 1/20 0.33
KCNH2 Q12809 1/20 0.33
RAB9A P51151 4/20 0.32
PKM P14618 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL795296 0.90 S1PR1 (0.35) S1PR1PIM1PIM2GABRA5BCHE
SCHEMBL795820 0.89 ADORA2A (0.40) S1PR1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL794683 0.87 NPC1 (0.40) S1PR1PIK3CAGABRA5BCHEACHE
SCHEMBL796303 0.86 GRM5 (0.37) S1PR1GABRA5BCHEACHENR1H4
SCHEMBL796052 0.86 GABRA5 (0.37) S1PR1GABRA5BCHEACHEATM
SCHEMBL796447 0.85 PIK3CA (0.38) S1PR1PIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL797145 0.85 TP53 (0.36) S1PR1BCHEACHERAB9APKM
SCHEMBL795542 0.84 SCN9A (0.41) S1PR1GABRA5BCHEACHEALDH1A1
SCHEMBL796412 0.84 GABRA5 (0.37) S1PR1GABRA5BCHEACHEATR
SCHEMBL796391 0.84 DHFR (0.38) ACHEATMATRRAB9APKM

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 S1PR1 2345/4885PIM1 4272/4885PIM2 3910/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 S1PR1 2345/4885PIM1 4272/4885PIM2 3910/4885

“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.