SCHEMBL796566

SCHEMBL796566

CN(c1ccccc1)c1nc(N)nc(-c2noc(N3CCC(c4ccccc4)CC3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
DHFR P00374 2/20 0.40
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
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
ADORA2A P29274 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL796506 0.89 L3MBTL1 (0.42) L3MBTL1ALDH1A1NPSR1POLBPKM
Hydrochloric Acid SCHEMBL17220461 0.89 L3MBTL1 (0.42) L3MBTL1ALDH1A1NPSR1POLBPKM
SCHEMBL795325 0.87 RAB9A (0.45) L3MBTL1DHFRALDH1A1NPSR1PKM
SCHEMBL796153 0.86 RAB9A (0.44) L3MBTL1DHFRALDH1A1NPSR1PKM
SCHEMBL795473 0.85 PKM (0.50) L3MBTL1ALDH1A1PKMNPC1RAB9A
SCHEMBL796007 0.85 L3MBTL1 (0.39) L3MBTL1ALDH1A1NPSR1POLBMAPT
SCHEMBL795864 0.85 L3MBTL1 (0.39) L3MBTL1ALDH1A1NPSR1POLBPKM
SCHEMBL15477174 0.85 L3MBTL1 (0.39) L3MBTL1ALDH1A1NPSR1POLBPKM
SCHEMBL795654 0.85 L3MBTL1 (0.39) L3MBTL1ALDH1A1NPSR1POLBLMNA
SCHEMBL796379 0.85 ALDH1A1 (0.39) L3MBTL1DHFRALDH1A1NPSR1POLB

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 13 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

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 4747/4885DHFR 1553/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 L3MBTL1 4747/4885DHFR 1553/4885ALDH1A1 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.