SCHEMBL796498

SCHEMBL796498

COC(=O)c1ncccc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
TP53 P04637 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
PKM P14618 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 6/20 0.35
HAO1 Q9UJM8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MITF O75030 1/20 0.34
ATM Q13315 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
SCHEMBL796525 0.91 GRM5 (0.40) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL797207 0.87 KMT2A (0.34) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL808341 0.86 PTGIR (0.34) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL795931 0.85 TDP1 (0.36) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL795733 0.85 GRM5 (0.35) GRM5KDM4EGAAMAPTALDH1A1
SCHEMBL796331 0.84 ADORA2A (0.36) GRM5MAPTALDH1A1TSHRHTT
SCHEMBL796879 0.84 KDM4E (0.37) GRM5NPC1RAB9ASMN1; SMN2PKM
SCHEMBL795653 0.84 KCNA5 (0.42) TP53ALDH1A1
SCHEMBL795372 0.84 RAB9A (0.42) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL796711 0.84 NPC1 (0.38) GRM5NPC1RAB9ATP53SMN1; SMN2

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 GRM5 67/4885NPC1 3204/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GRM5 67/4885NPC1 3204/4885RAB9A 4766/4885

“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.