SCHEMBL808330

SCHEMBL808330

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3C(=O)NC3CC3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.39
CNR1 P21554 4/20 0.39
TNKS O95271 3/20 0.38
TNKS2 Q9H2K2 3/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.35
MCHR1 Q99705 1/20 0.35
KMT2A Q03164 1/20 0.35
SMYD3 Q9H7B4 1/20 0.33
PDE4B Q07343 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL10287138 0.97 ALDH1A1 (0.39) CNR2CNR1TNKSTNKS2ALDH1A1
SCHEMBL795816 0.88 ALDH1A1 (0.36) CNR2CNR1ALDH1A1
SCHEMBL796437 0.87 KDM4E (0.40) ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL795733 0.86 GRM5 (0.35) CNR2CNR1TNKSTNKS2ALDH1A1
SCHEMBL795931 0.85 TDP1 (0.36) ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL796521 0.83 KDM4E (0.33) ALDH1A1KDM4EGAARAB9AKMT2A
SCHEMBL795258 0.83 GABRA5 (0.35) ALDH1A1KDM4EGAA
SCHEMBL796879 0.83 KDM4E (0.37) CNR2ALDH1A1KDM4EGAARAB9A
SCHEMBL795815 0.83 MERTK (0.34) RAB9A
SCHEMBL808336 0.83 PTGIR (0.34) CNR2ALDH1A1RAB9AKMT2A

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 9 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-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
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 15/4885CNR1 43/4885TNKS 1557/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CNR2 15/4885CNR1 43/4885TNKS 1557/4885

“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.