SCHEMBL796191

SCHEMBL796191

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccncc3)n2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.51
ACE2 Q9BYF1 1/20 0.49
RAB9A P51151 11/20 0.49
NPC1 O15118 10/20 0.49
MAPT P10636 4/20 0.49
HSD17B10 Q99714 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
TP53 P04637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
PKM P14618 2/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL795503 0.93 NR1H4 (0.47) SMN1; SMN2RAB9ANPC1MAPTHSD17B10
SCHEMBL795514 0.88 RAB9A (0.53) SMN1; SMN2RAB9ANPC1MAPTHSD17B10
SCHEMBL796774 0.87 S1PR1 (0.41) SMN1; SMN2ACE2RAB9ANPC1MAPT
SCHEMBL796817 0.87 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1MAPTHSD17B10
SCHEMBL795543 0.87 NPC1 (0.47) SMN1; SMN2RAB9ANPC1MAPTHSD17B10
SCHEMBL793651 0.87 RAB9A (0.43) SMN1; SMN2RAB9ANPC1MAPTHSD17B10
SCHEMBL795411 0.85 PKM (0.39) SMN1; SMN2RAB9ANPC1MAPTHSD17B10
SCHEMBL795425 0.85 NR1H4 (0.56) SMN1; SMN2RAB9ANPC1MAPTHSD17B10
SCHEMBL796186 0.84 RAB9A (0.38) SMN1; SMN2RAB9ANPC1MAPTHSD17B10
SCHEMBL796219 0.84 TSHR (0.36) SMN1; SMN2ACE2RAB9ANPC1MAPT

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 14 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-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-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
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 SMN1; SMN2 1684/4885ACE2 2401/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885ACE2 2401/4885RAB9A 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.