SCHEMBL796506

SCHEMBL796506

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ALOX5AP P20292 5/20 0.41
GPR119 Q8TDV5 1/20 0.40
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
Hydrochloric Acid SCHEMBL17220461 0.90 L3MBTL1 (0.42) L3MBTL1POLBALDH1A1NPSR1PKM
SCHEMBL795860 0.90 L3MBTL1 (0.37) L3MBTL1ALOX5APALDH1A1NPSR1PKM
SCHEMBL796566 0.89 L3MBTL1 (0.41) L3MBTL1POLBALDH1A1NPSR1PKM
SCHEMBL795325 0.88 RAB9A (0.45) L3MBTL1ALDH1A1NPSR1PKMNPC1
SCHEMBL796153 0.87 RAB9A (0.44) L3MBTL1ALDH1A1NPSR1PKMNPC1
SCHEMBL17220358 0.87 SMO (0.42) L3MBTL1POLBALDH1A1NPSR1NPC1
SCHEMBL795473 0.86 PKM (0.50) L3MBTL1ALDH1A1PKMNPC1RAB9A
SCHEMBL796007 0.86 L3MBTL1 (0.39) L3MBTL1GPR119POLBALDH1A1NPSR1
SCHEMBL795654 0.85 L3MBTL1 (0.39) L3MBTL1POLBALDH1A1NPSR1LMNA
SCHEMBL795864 0.85 L3MBTL1 (0.39) L3MBTL1GPR119POLBALDH1A1NPSR1

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 6 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
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 4747/4885ALOX5AP 305/4885GPR119 474/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885ALOX5AP 305/4885GPR119 474/4885

“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.