SCHEMBL795228

SCHEMBL795228

Cc1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4F)n3)no2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.38
ADORA3 P0DMS8 4/20 0.38
ADORA1 P30542 4/20 0.38
ADORA2B P29275 2/20 0.38
NPC1 O15118 7/20 0.35
RAB9A P51151 7/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL797078 0.86 MAPT (0.37) ADORA2AADORA3ADORA1ADORA2BNPC1
SCHEMBL797029 0.84 RAB9A (0.44) ADORA2AADORA3ADORA1ADORA2BNPC1
SCHEMBL795361 0.81 ADORA2A (0.38) ADORA2AADORA3ADORA1ADORA2BNPC1
SCHEMBL796280 0.81 SMN1; SMN2 (0.34) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL796523 0.80 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL795859 0.79 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL795914 0.78 NPC1 (0.35) ADORA2AADORA3ADORA1ADORA2BNPC1
SCHEMBL797044 0.77 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL795501 0.77 MAPT (0.41) ADORA2AADORA3ADORA1ADORA2BNPC1
SCHEMBL795811 0.76 RAB9A (0.43) ADORA2AADORA3ADORA1ADORA2BNPC1

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 ADORA2A 244/4885ADORA3 241/4885ADORA1 565/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ADORA2A 244/4885ADORA3 241/4885ADORA1 565/4885

“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.