SCHEMBL794849

SCHEMBL794849

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(C(=O)NCC(F)(F)F)cn3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 11/20 0.42
HDAC4 P56524 6/20 0.41
HDAC1 Q13547 1/20 0.40
HPGDS O60760 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL795563 0.84 HDAC4 (0.42) HDAC4HDAC1HDAC6
SCHEMBL795465 0.84 HDAC4 (0.39) GABRA5HDAC4HDAC6
SCHEMBL795346 0.84 ATR (0.36) HDAC4HDAC1HDAC6
SCHEMBL795809 0.83 MAPT (0.36) GABRA5HDAC1HPGDSHDAC6
SCHEMBL795258 0.83 GABRA5 (0.35) GABRA5
SCHEMBL796331 0.83 ADORA2A (0.36) GABRA5HDAC4HDAC1HDAC6
SCHEMBL808016 0.81 STAT3 (0.38) HDAC4HDAC1
SCHEMBL797277 0.80 CASP3 (0.45) HDAC4HDAC1
SCHEMBL796460 0.79 ATR (0.34) HDAC4HDAC1HPGDSHDAC6
SCHEMBL796527 0.79 GRM5 (0.38)

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 10 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-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
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 GABRA5 116/4885HDAC4 781/4885HDAC1 288/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GABRA5 116/4885HDAC4 781/4885HDAC1 288/4885

“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.