SCHEMBL796016

SCHEMBL796016

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(F)nc3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 4/20 0.35
PKM P14618 4/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KLF5 Q13887 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
NPC1 O15118 3/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
DHFR P00374 3/20 0.34
GRM5 P41594 2/20 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
SCHEMBL797145 0.89 TP53 (0.36) TP53SMN1; SMN2RAB9APKMTSHR
SCHEMBL796391 0.88 DHFR (0.38) TP53SMN1; SMN2RAB9APKMTSHR
SCHEMBL796510 0.87 TP53 (0.37) TP53SMN1; SMN2RAB9APKMTSHR
SCHEMBL796554 0.87 RAB9A (0.45) TP53SMN1; SMN2RAB9APKMTSHR
SCHEMBL793651 0.87 RAB9A (0.43) TP53SMN1; SMN2RAB9APKMTSHR
SCHEMBL15477122 0.87 CASP3 (0.40) TP53SMN1; SMN2RAB9APKMTSHR
SCHEMBL796775 0.86 DHFR (0.37) TP53SMN1; SMN2RAB9APKMTSHR
SCHEMBL795820 0.85 ADORA2A (0.40) TP53SMN1; SMN2RAB9APKMMAPT
SCHEMBL795503 0.85 NR1H4 (0.47) TP53SMN1; SMN2RAB9APKMTSHR
SCHEMBL796303 0.85 GRM5 (0.37) BCHEACHEDHFRGRM5NR1H4

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 13 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-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 TP53 4729/4885SMN1; SMN2 1684/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 TP53 4729/4885SMN1; SMN2 1684/4885RAB9A 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.