SCHEMBL794909

SCHEMBL794909

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3CCC(COCC(F)(F)F)CC3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
GPR119 Q8TDV5 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
DCPS Q96C86 3/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 2/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 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
SCHEMBL796542 0.93 L3MBTL1 (0.35) L3MBTL1GPR119ALDH1A1NPSR1LMNA
SCHEMBL795864 0.91 L3MBTL1 (0.39) L3MBTL1GPR119ALDH1A1NPSR1LMNA
SCHEMBL808339 0.88 L3MBTL1 (0.37) L3MBTL1GPR119ALDH1A1NPSR1LMNA
SCHEMBL795654 0.88 L3MBTL1 (0.39) L3MBTL1ALDH1A1NPSR1LMNADCPS
SCHEMBL795871 0.87 ALDH1A1 (0.31) L3MBTL1ALDH1A1NPSR1LMNAMAPT
SCHEMBL15480825 0.87 ALDH1A1 (0.31) L3MBTL1ALDH1A1NPSR1LMNAMAPT
SCHEMBL796710 0.86 GPR119 (0.38) L3MBTL1GPR119DCPSPOLB
SCHEMBL797182 0.85 L3MBTL1 (0.36) L3MBTL1ALDH1A1NPSR1LMNAPOLB
SCHEMBL795841 0.85 L3MBTL1 (0.36) L3MBTL1ALDH1A1NPSR1POLBNPC1
SCHEMBL796032 0.85 L3MBTL1 (0.36) L3MBTL1ALDH1A1NPSR1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP claimed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US claimed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US claimed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US claimed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP claimed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO claimed
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 L3MBTL1 4747/4885GPR119 474/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885GPR119 474/4885ALDH1A1 439/4885

“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.