SCHEMBL796727

SCHEMBL796727

CCOC(=O)c1nc(-c2nc(N)nc(Nc3ccccc3)n2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
HTT P42858 2/20 0.47
USP2 O75604 3/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
UBE2B P63146 1/20 0.45
AGPAT2 O15120 1/20 0.44
TP53 P04637 2/20 0.43

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
SCHEMBL795946 0.88 SMN1; SMN2 (0.48) KMT2AHTTGAARAB9ANPC1
SCHEMBL795266 0.83 CDK9 (0.47) KMT2AHTTUSP2GAARAB9A
SCHEMBL796182 0.79 HTT (0.46) KMT2AHTTGAARAB9ANPC1
SCHEMBL796307 0.76 KDM4E (0.48) KMT2AHTTUSP2GAARAB9A
SCHEMBL2554648 0.76 HTT (0.67) KMT2AHTTGAARAB9ANPC1
SCHEMBL796454 0.75 KDM4E (0.48) KMT2AHTTUSP2RAB9ANPC1
SCHEMBL795502 0.74 CYP2D6 (0.45) KMT2AUSP2GAARAB9ANPC1
SCHEMBL797068 0.74 CYP2D6 (0.48) KMT2AHTTUSP2GAARAB9A
SCHEMBL795379 0.74 ALOX5AP (0.46) KMT2AUSP2RAB9ANPC1MAPT
SCHEMBL796314 0.74 CDK9 (0.40) KMT2AHTTUSP2RAB9ANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 KMT2A 3938/4885HTT 3966/4885USP2 3711/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KMT2A 3938/4885HTT 3966/4885USP2 3711/4885

“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.