SCHEMBL795353

SCHEMBL795353

CN(c1nc(N)nc(-c2noc(-c3ccco3)n2)n1)c1cc(F)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 4/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
TSHR P16473 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
CASP3 P42574 1/20 0.40
ADORA2A P29274 4/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
HSD17B10 Q99714 3/20 0.40
POLB P06746 1/20 0.40
PKM P14618 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
SCHEMBL10287189 0.91 CASP3 (0.47) SMN1; SMN2TP53MAPK1MEN1NFKB1
SCHEMBL795418 0.91 SMN1; SMN2 (0.41) SMN1; SMN2TP53MAPK1MEN1NFKB1
SCHEMBL797029 0.89 RAB9A (0.44) SMN1; SMN2TP53MAPK1MEN1NFKB1
SCHEMBL796119 0.85 RAB9A (0.44) SMN1; SMN2TP53MAPK1MEN1NFKB1
SCHEMBL795811 0.84 RAB9A (0.43) SMN1; SMN2TP53MAPK1MEN1NFKB1
SCHEMBL795368 0.84 NPC1 (0.40) SMN1; SMN2TP53MAPK1MEN1NFKB1
SCHEMBL795229 0.82 NPC1 (0.44) SMN1; SMN2TP53MAPK1MEN1NFKB1
SCHEMBL808324 0.82 HSD17B10 (0.43) SMN1; SMN2TP53MAPK1MEN1NFKB1
SCHEMBL795941 0.81 CASP3 (0.44) SMN1; SMN2TP53MAPK1MEN1NFKB1
SCHEMBL795373 0.81 CASP3 (0.42) SMN1; SMN2TP53MAPK1MEN1NFKB1

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 1684/4885TP53 4729/4885MAPK1 3234/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885TP53 4729/4885MAPK1 3234/4885

“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.