SCHEMBL796467

SCHEMBL796467

Nc1nc(Nc2ccc(F)c(Cl)c2)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
STK17A Q9UEE5 3/20 0.38
STK17B O94768 2/20 0.38
BACE2 Q9Y5Z0 2/20 0.38
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
ULK1 O75385 1/20 0.37
GSK3B P49841 1/20 0.37
AGPAT2 O15120 1/20 0.36
TDO2 P48775 1/20 0.36
RET P07949 1/20 0.35
APP P05067 2/20 0.35
BRAF P15056 1/20 0.35
CHRNA7 P36544 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL15477413 0.92 BACE2 (0.39) BACE2BACE1GSK3BAGPAT2CHRNA7
SCHEMBL15477205 0.85 DHFR (0.38) BACE2BACE1ALDH1A1RECQLTRPV3
SCHEMBL795752 0.85 KMT2A (0.43) MAPK1ALDH1A1RECQLCHRNA7DGAT1
SCHEMBL795546 0.81 ALDH1A1 (0.36) ALDH1A1RECQLGSK3BRETTRPV3
SCHEMBL796256 0.80 ROCK1 (0.42) MAPK1CHRNA7
SCHEMBL794750 0.80 SYK (0.41) GSK3B
SCHEMBL795269 0.76 EPHX2 (0.39) ALDH1A1CHRNA7
SCHEMBL808037 0.75 DHFR (0.38) BACE2BACE1ALDH1A1RECQLTRPV3
SCHEMBL795751 0.74 L3MBTL1 (0.45) ALDH1A1RECQL
SCHEMBL807929 0.73 ACHE (0.40)

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 8 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

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 MAPK1 3234/4885STK17A 702/4885STK17B 737/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPK1 3234/4885STK17A 702/4885STK17B 737/4885

“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.