SCHEMBL795020

SCHEMBL795020

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(COC4CCOC4)nc3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
HDAC6 Q9UBN7 7/20 0.34
HDAC1 Q13547 6/20 0.34
HDAC5 Q9UQL6 6/20 0.34
HDAC8 Q9BY41 3/20 0.34
PIK3CA P42336 1/20 0.32
S1PR1 P21453 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GABRA5 P31644 1/20 0.30
DCPS Q96C86 1/20 0.30
ACHE P22303 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
SCHEMBL10287193 0.90 S1PR1 (0.33) ADORA2AHDAC6HDAC1HDAC5HDAC8
SCHEMBL794759 0.86 PIK3CA (0.40) PIK3CANPC1RAB9AGABRA5ACHE
SCHEMBL795736 0.84 CNR2 (0.35) ADORA2AHDAC6HDAC1HDAC5S1PR1
SCHEMBL795632 0.83 PIK3CA (0.45) HDAC6PIK3CANPC1RAB9AGABRA5
SCHEMBL795739 0.80 S1PR1 (0.44) PIK3CAS1PR1NPC1RAB9AACHE
SCHEMBL796180 0.80 ALOX5AP (0.34) HDAC6HDAC1HDAC5HDAC8S1PR1
SCHEMBL17220193 0.80 CA2 (0.33) HDAC6HDAC1HDAC5HDAC8S1PR1
SCHEMBL795652 0.80 ALOX5AP (0.37) ADORA2AADORA3ADORA2BADORA1HDAC6
SCHEMBL795506 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC5HDAC8PIK3CA
SCHEMBL795825 0.79 ALDH1A1 (0.39) ADORA2AHDAC6HDAC1HDAC8PIK3CA

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 ADORA2A 244/4885ADORA3 241/4885ADORA2B 329/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ADORA2A 244/4885ADORA3 241/4885ADORA2B 329/4885

“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.