SCHEMBL795940

SCHEMBL795940

CN(c1ccc(Cl)cc1)c1nc(N)nc(-c2noc(-c3ccco3)n2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.54
MAPT P10636 6/20 0.44
HSD17B10 Q99714 5/20 0.44
KDM4E B2RXH2 3/20 0.44
ESR1 P03372 1/20 0.44
NPC1 O15118 9/20 0.42
RAB9A P51151 9/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
TP53 P04637 5/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 4/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.36

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
SCHEMBL796119 0.90 RAB9A (0.44) CASP3MAPTHSD17B10KDM4ENPC1
SCHEMBL795092 0.90 RAB9A (0.43) CASP3MAPTHSD17B10KDM4ENPC1
SCHEMBL795410 0.90 RAB9A (0.47) CASP3MAPTHSD17B10KDM4ENPC1
SCHEMBL795474 0.89 CASP3 (0.46) CASP3MAPTHSD17B10KDM4EESR1
SCHEMBL795920 0.87 SMN1; SMN2 (0.48) CASP3MAPTHSD17B10KDM4EESR1
SCHEMBL10287189 0.85 CASP3 (0.47) CASP3MAPTHSD17B10KDM4EESR1
SCHEMBL795941 0.84 CASP3 (0.44) CASP3MAPTHSD17B10KDM4EESR1
SCHEMBL796148 0.83 TSHR (0.41) CASP3MAPTHSD17B10KDM4ENPC1
SCHEMBL795368 0.83 NPC1 (0.40) CASP3MAPTHSD17B10KDM4ENPC1
SCHEMBL795373 0.81 CASP3 (0.42) CASP3MAPTHSD17B10KDM4EESR1

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 2021/4885MAPT 2602/4885HSD17B10 1535/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CASP3 2021/4885MAPT 2602/4885HSD17B10 1535/4885

“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.