SCHEMBL796295

SCHEMBL796295

CN(Cc1ccccc1)c1nc(N)nc(-c2noc(-c3ccco3)n2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.47
TSHR P16473 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
TP53 P04637 3/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
CASP3 P42574 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
NFKB1 P19838 1/20 0.39

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
SCHEMBL795410 0.83 RAB9A (0.47) HSD17B10TSHRALDH1A1KDM4EHPGD
SCHEMBL795354 0.80 NPC1 (0.44) HSD17B10TSHRALDH1A1KDM4EHPGD
SCHEMBL795191 0.80 NPC1 (0.42) HSD17B10TSHRALDH1A1KDM4EHPGD
SCHEMBL795229 0.78 NPC1 (0.44) HSD17B10TSHRALDH1A1KDM4EHPGD
SCHEMBL797029 0.78 RAB9A (0.44) HSD17B10TSHRALDH1A1KDM4EHPGD
SCHEMBL795701 0.78 NPC1 (0.44) HSD17B10TSHRALDH1A1KDM4EHPGD
SCHEMBL795941 0.77 CASP3 (0.44) HSD17B10TSHRALDH1A1KDM4EHPGD
SCHEMBL796119 0.77 RAB9A (0.44) HSD17B10TSHRALDH1A1KDM4EHPGD
SCHEMBL795092 0.77 RAB9A (0.43) HSD17B10TSHRALDH1A1KDM4EHPGD
SCHEMBL795396 0.77 NPC1 (0.43) HSD17B10TSHRALDH1A1KDM4EHPGD

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 13 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

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 HSD17B10 1535/4885TSHR 1712/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HSD17B10 1535/4885TSHR 1712/4885ALDH1A1 439/4885

“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.