SCHEMBL795825

SCHEMBL795825

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(CN4CCOCC4)nc3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.37
PIK3CA P42336 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
MTOR P42345 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KCNH2 Q12809 2/20 0.34
ADORA2A P29274 1/20 0.34
AOC3 Q16853 1/20 0.34
BRAF P15056 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL796795 0.93 S1PR1 (0.36) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL795739 0.84 S1PR1 (0.44) ALDH1A1PKMPIK3CANPC1RAB9A
SCHEMBL797145 0.80 TP53 (0.36) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL10286922 0.80 S1PR1 (0.33) HDAC1HDAC8HDAC6
SCHEMBL795020 0.79 ADORA2A (0.38) PIK3CANPC1RAB9AADORA2AHDAC1
SCHEMBL796391 0.79 DHFR (0.38) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL796202 0.79 SCN9A (0.37) PKMNPC1RAB9ASMN1; SMN2HDAC8
SCHEMBL796120 0.79 HDAC8 (0.40) HDAC1HDAC8HDAC6
SCHEMBL795736 0.79 CNR2 (0.35) ADORA2AHDAC1HDAC6
SCHEMBL10287193 0.79 S1PR1 (0.33) ALDH1A1ADORA2AHDAC1HDAC8HDAC6

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 ALDH1A1 439/4885PKM 1412/4885PIK3CA 2806/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885PKM 1412/4885PIK3CA 2806/4885

“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.