SCHEMBL795736

SCHEMBL795736

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(COCC4CC4)nc3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
ACHE P22303 4/20 0.34
ADORA2A P29274 2/20 0.34
S1PR1 P21453 2/20 0.32
BCHE P06276 1/20 0.31
ALOX5AP P20292 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31

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
SCHEMBL796122 0.87 GABRA5 (0.38) CNR2ACHES1PR1BCHE
SCHEMBL10287193 0.86 S1PR1 (0.33) ACHEADORA2AS1PR1BCHEALOX5AP
SCHEMBL796180 0.86 ALOX5AP (0.34) ACHES1PR1BCHEALOX5APHDAC1
SCHEMBL795506 0.85 HDAC6 (0.38) S1PR1HDAC1HDAC6HDAC5
SCHEMBL795020 0.84 ADORA2A (0.38) ACHEADORA2AS1PR1HDAC1HDAC6
SCHEMBL795739 0.83 S1PR1 (0.44) ACHES1PR1BCHEALOX5AP
SCHEMBL17220193 0.83 CA2 (0.33) ACHES1PR1BCHEHDAC1HDAC6
SCHEMBL795633 0.82 CNR2 (0.36) CNR2ACHES1PR1
SCHEMBL795965 0.82 ALOX5AP (0.36) ALOX5APHDAC6
SCHEMBL796120 0.81 HDAC8 (0.40) ALOX5APHDAC1HDAC6HDAC5

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 CNR2 15/4885ACHE 260/4885ADORA2A 244/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CNR2 15/4885ACHE 260/4885ADORA2A 244/4885

“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.