SCHEMBL795838

SCHEMBL795838

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3O)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.35
TSHR P16473 4/20 0.34
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
PKM P14618 2/20 0.34
ADORA2A P29274 2/20 0.34
CHUK O15111 1/20 0.34
TXNRD1 Q16881 1/20 0.34

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
SCHEMBL795276 0.89 SMN1; SMN2 (0.35) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL795929 0.88 PKM (0.39) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL796437 0.88 KDM4E (0.40) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL795819 0.87 SMN1; SMN2 (0.36) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL796278 0.87 GRM5 (0.39) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL796206 0.87 SMN1; SMN2 (0.34) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL797325 0.87 MAPT (0.34) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL796384 0.85 NPC1 (0.42) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL795411 0.85 PKM (0.39) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL795724 0.85 NPC1 (0.39) MAPTALDH1A1TP53RAB9ANPC1

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 2602/4885ALDH1A1 439/4885TP53 4729/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MAPT 2602/4885ALDH1A1 439/4885TP53 4729/4885

“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.