SCHEMBL795941

SCHEMBL795941

CN(c1nc(N)nc(-c2noc(-c3ccco3)n2)n1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
HSD17B10 Q99714 6/20 0.44
TP53 P04637 4/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 4/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.37
ESR1 P03372 1/20 0.37
HPGD P15428 4/20 0.37

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
SCHEMBL795373 0.91 CASP3 (0.42) CASP3RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL795229 0.88 NPC1 (0.44) CASP3RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL797029 0.88 RAB9A (0.44) CASP3RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL10287189 0.85 CASP3 (0.47) CASP3RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL795410 0.84 RAB9A (0.47) CASP3RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL795811 0.84 RAB9A (0.43) CASP3RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL795940 0.84 CASP3 (0.54) CASP3RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL808324 0.83 HSD17B10 (0.43) CASP3RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL795353 0.81 SMN1; SMN2 (0.42) CASP3RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL795474 0.81 CASP3 (0.46) CASP3RAB9ANPC1SMN1; SMN2HSD17B10

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 CASP3 2021/4885RAB9A 4766/4885NPC1 3204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CASP3 2021/4885RAB9A 4766/4885NPC1 3204/4885

“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.