SCHEMBL797325

SCHEMBL797325

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3CO)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ADORA2A P29274 2/20 0.34
GPR68 Q15743 2/20 0.34
HTR2B P41595 1/20 0.34
TSHR P16473 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 3/20 0.32
TP53 P04637 2/20 0.32
PKM P14618 2/20 0.32
NPC1 O15118 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
DHFR P00374 3/20 0.32
CYP1A2 P05177 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
SCHEMBL795838 0.87 MAPT (0.37) MAPTADORA2ATSHRL3MBTL1ALOX15
SCHEMBL795276 0.86 SMN1; SMN2 (0.35) MAPTTSHRL3MBTL1ALOX15SMN1; SMN2
SCHEMBL795929 0.85 PKM (0.39) MAPTGPR68TSHRL3MBTL1SMN1; SMN2
SCHEMBL796437 0.85 KDM4E (0.40) MAPTADORA2ATSHRL3MBTL1SMN1; SMN2
SCHEMBL796711 0.85 NPC1 (0.38) MAPTTSHRL3MBTL1USP2ALOX15
SCHEMBL796278 0.85 GRM5 (0.39) MAPTTSHRL3MBTL1SMN1; SMN2NPSR1
SCHEMBL795819 0.85 SMN1; SMN2 (0.36) MAPTTSHRL3MBTL1SMN1; SMN2NPSR1
SCHEMBL796206 0.85 SMN1; SMN2 (0.34) MAPTTSHRL3MBTL1ALOX15SMN1; SMN2
SCHEMBL795443 0.84 GRM5 (0.30)
SCHEMBL796097 0.83 S1PR1 (0.40) MAPTTSHRUSP2SMN1; SMN2NPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 MAPT 2602/4885ADORA2A 244/4885GPR68 356/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885ADORA2A 244/4885GPR68 356/4885

“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.