SCHEMBL795810

SCHEMBL795810

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 2/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL795841 0.88 L3MBTL1 (0.36) L3MBTL1POLBALDH1A1NPSR1NPC1
SCHEMBL808339 0.84 L3MBTL1 (0.37) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL807783 0.84 KCNH2 (0.36) L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL15477174 0.84 L3MBTL1 (0.39) L3MBTL1POLBALDH1A1NPSR1NPC1
SCHEMBL795624 0.83 L3MBTL1 (0.38) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL794909 0.83 L3MBTL1 (0.36) L3MBTL1POLBMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL17220461 0.82 L3MBTL1 (0.42) L3MBTL1POLBALDH1A1NPSR1NPC1
SCHEMBL796506 0.82 L3MBTL1 (0.42) L3MBTL1POLBALDH1A1NPSR1NPC1
SCHEMBL796542 0.82 L3MBTL1 (0.35) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL796140 0.82 L3MBTL1 (0.37) L3MBTL1POLBMEN1KMT2AALDH1A1

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 L3MBTL1 4747/4885POLB 3927/4885MEN1 4842/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885POLB 3927/4885MEN1 4842/4885

“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.