SCHEMBL795296

SCHEMBL795296

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.35
S1PR3 Q99500 3/20 0.34
S1PR5 Q9H228 2/20 0.34
GABRA5 P31644 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HDAC4 P56524 6/20 0.31
HDAC6 Q9UBN7 5/20 0.31
HDAC1 Q13547 3/20 0.31
PRKDC P78527 1/20 0.31
ATM Q13315 1/20 0.31
ATR Q13535 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
GRM5 P41594 1/20 0.31
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL796133 0.90 S1PR1 (0.43) S1PR1GABRA5BCHEACHEPRKDC
SCHEMBL796303 0.88 GRM5 (0.37) S1PR1S1PR3GABRA5BCHEACHE
SCHEMBL795542 0.86 SCN9A (0.41) S1PR1S1PR3GABRA5BCHEACHE
SCHEMBL15477342 0.85 HDAC6 (0.35) S1PR1S1PR3S1PR5HDAC6HDAC1
SCHEMBL795820 0.85 ADORA2A (0.40) S1PR1GABRA5BCHEACHEATR
SCHEMBL15476937 0.85 GABRA5 (0.36) S1PR1GABRA5BCHEACHEHDAC6
SCHEMBL796052 0.84 GABRA5 (0.37) S1PR1GABRA5BCHEACHEPRKDC
SCHEMBL794683 0.83 NPC1 (0.40) S1PR1S1PR3GABRA5BCHEACHE
SCHEMBL15477122 0.82 CASP3 (0.40) S1PR1S1PR3HDAC4HDAC6PRKDC
SCHEMBL796094 0.82 SCN9A (0.36) S1PR1S1PR3GABRA5BCHEACHE

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 2345/4885S1PR3 1511/4885S1PR5 1185/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 S1PR1 2345/4885S1PR3 1511/4885S1PR5 1185/4885

“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.