SCHEMBL795357

SCHEMBL795357

Nc1nc(Nc2ccccc2)nc(-c2noc(-c3ccco3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.47
ADORA2B P29275 2/20 0.47
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
TLR8 Q9NR97 1/20 0.47
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
HSD17B10 Q99714 3/20 0.47
TP53 P04637 3/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 5/20 0.46
TSHR P16473 3/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
USP2 O75604 3/20 0.46

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
SCHEMBL795637 0.87 MAPT (0.43) ADORA2AADORA2BADORA1ADORA3TLR8
SCHEMBL795831 0.86 CASP3 (0.48) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL796382 0.80 NPC1 (0.41) ADORA2AADORA2BADORA1ADORA3NPC1
SCHEMBL795710 0.79 CASP3 (0.43) ADORA2AADORA2BADORA1ADORA3NPC1
SCHEMBL795322 0.78 NPC1 (0.43) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL795193 0.78 CASP3 (0.44) ADORA2AADORA1ADORA3NPC1RAB9A
SCHEMBL796526 0.78 CASP3 (0.50) ADORA2ANPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL807928 0.78 LCLAT1 (0.43) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL795935 0.78 RAB9A (0.48) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL796497 0.76 NPC1 (0.42) NPC1RAB9ASMN1; SMN2HSD17B10PKM

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 ADORA2A 244/4885ADORA2B 329/4885ADORA1 565/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ADORA2A 244/4885ADORA2B 329/4885ADORA1 565/4885

“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.