SCHEMBL795658

SCHEMBL795658

O=C(Cl)c1ccc(OC(F)(F)F)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TLR7 Q9NYK1 1/20 0.43
EPHX2 P34913 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABL1 P00519 3/20 0.41
SLC7A5 Q01650 1/20 0.40
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
SCN10A Q9Y5Y9 3/20 0.39
SCN9A Q15858 2/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK7 Q13164 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL29488317 0.84 P4HTM (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL2300999 0.84 P4HTM (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL30489408 0.83 KMT2A (0.57) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL18113755 0.82 MEN1 (0.46) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL796465 0.81 MAPK1 (0.57) MEN1KMT2ANPC1RAB9AL3MBTL1
Potassium Ion SCHEMBL796078 0.81 KMT2A (0.45) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL20271034 0.77 KMT2A (0.41) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL18442520 0.77 KMT2A (0.41) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL11192069 0.77 DRD3 (0.46) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL17668487 0.76 LMNA (0.42) KMT2AABL1BACE1BACE2SCN10A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 CN 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 MEN1 4842/4885KMT2A 3938/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MEN1 4842/4885KMT2A 3938/4885NPC1 3204/4885

“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.