SCHEMBL796879

SCHEMBL796879

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cccnc3C(=O)NC3CCC3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
GRM5 P41594 2/20 0.35
HIF1A Q16665 1/20 0.35
ADORA2A P29274 4/20 0.34
CNR2 P34972 1/20 0.34
POLB P06746 1/20 0.34
HCRTR1 O43613 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL795733 0.97 GRM5 (0.35) KDM4EALDH1A1GAAGRM5ADORA2A
SCHEMBL795653 0.87 KCNA5 (0.42) ALDH1A1HIF1AADORA2ACNR2
SCHEMBL10287138 0.87 ALDH1A1 (0.39) KDM4EALDH1A1GAACNR2POLB
SCHEMBL796525 0.85 GRM5 (0.40) KDM4EALDH1A1GAAGRM5RAB9A
SCHEMBL796498 0.84 GRM5 (0.38) KDM4EALDH1A1GAAGRM5RAB9A
SCHEMBL797207 0.84 KMT2A (0.34) KDM4EALDH1A1GAAGRM5ADORA2A
SCHEMBL808330 0.83 CNR2 (0.39) KDM4EALDH1A1GAACNR2RAB9A
SCHEMBL796331 0.82 ADORA2A (0.36) ALDH1A1GRM5ADORA2AADORA3
SCHEMBL796233 0.82 NPC1 (0.39) GRM5RAB9ANPC1MEN1KMT2A
SCHEMBL795621 0.82 CYP2D6 (0.45) KDM4EALDH1A1GAAHIF1ARAB9A

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 11 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
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 KDM4E 3067/4885ALDH1A1 439/4885GAA 3290/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KDM4E 3067/4885ALDH1A1 439/4885GAA 3290/4885

“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.