SCHEMBL795368

SCHEMBL795368

CN(c1cccc(F)c1)c1nc(N)nc(-c2noc(-c3ccco3)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
TP53 P04637 4/20 0.40
HSD17B10 Q99714 3/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 3/20 0.39
CASP3 P42574 1/20 0.39
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL796148 0.90 TSHR (0.41) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL795474 0.89 CASP3 (0.46) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL796119 0.88 RAB9A (0.44) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL795410 0.88 RAB9A (0.47) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL796131 0.87 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL807779 0.87 ADORA2A (0.40) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL795353 0.84 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL795361 0.84 ADORA2A (0.38) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL795092 0.84 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL795940 0.83 CASP3 (0.54) NPC1RAB9ASMN1; SMN2TP53HSD17B10

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 NPC1 3204/4885RAB9A 4766/4885SMN1; SMN2 1684/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885RAB9A 4766/4885SMN1; SMN2 1684/4885

“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.