SCHEMBL795733

SCHEMBL795733

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cccnc3C(=O)NC3CC3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ADORA2A P29274 3/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
ATR Q13535 2/20 0.34
TNKS O95271 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
MAPT P10636 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
PDE4B Q07343 1/20 0.33
MAPK14 Q16539 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CYP3A4 P08684 1/20 0.32
EPHX2 P34913 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1C Q13936 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL796879 0.97 KDM4E (0.37) GRM5KDM4EALDH1A1GAAADORA2A
SCHEMBL795653 0.88 KCNA5 (0.42) ALDH1A1ADORA2ACNR1CNR2MAPK14
SCHEMBL796525 0.86 GRM5 (0.40) GRM5KDM4EALDH1A1GAAMAPT
SCHEMBL808330 0.86 CNR2 (0.39) KDM4EALDH1A1GAACNR1CNR2
SCHEMBL796498 0.85 GRM5 (0.38) GRM5KDM4EALDH1A1GAAMAPT
SCHEMBL797207 0.83 KMT2A (0.34) GRM5KDM4EALDH1A1GAAADORA2A
SCHEMBL10287138 0.83 ALDH1A1 (0.39) KDM4EALDH1A1GAACNR1CNR2
SCHEMBL796331 0.83 ADORA2A (0.36) GRM5ALDH1A1ADORA2AMAPTADORA1
SCHEMBL808341 0.83 PTGIR (0.34) GRM5KDM4EALDH1A1GAACNR2
SCHEMBL796337 0.81 MAPK14 (0.37) ATRSMYD3MAPK14

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 10 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
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 GRM5 67/4885KDM4E 3067/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GRM5 67/4885KDM4E 3067/4885ALDH1A1 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.