SCHEMBL796307

SCHEMBL796307

Nc1nc(Nc2ccccc2)nc(-c2noc(C(=O)N3CCCC3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 5/20 0.47
HTT P42858 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.43
NPC1 O15118 3/20 0.43
GRM5 P41594 1/20 0.43
USP2 O75604 2/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
CDK9 P50750 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL796454 0.88 KDM4E (0.48) KDM4EL3MBTL1TDP1KMT2AHTT
SCHEMBL795967 0.88 NTRK1 (0.43) KMT2AHTTRAB9AMEN1SMN1; SMN2
SCHEMBL795836 0.85 SMN1; SMN2 (0.43) KDM4EL3MBTL1TDP1KMT2AHTT
SCHEMBL15482841 0.83 TSHR (0.47) KDM4EL3MBTL1KMT2AHTTRAB9A
SCHEMBL15477367 0.83 KCNH2 (0.44) KDM4EL3MBTL1TDP1KMT2AHTT
SCHEMBL795266 0.83 CDK9 (0.47) KDM4EL3MBTL1TDP1KMT2AHTT
SCHEMBL795057 0.82 MAPT (0.42) KDM4EL3MBTL1TDP1KMT2AHTT
SCHEMBL15476949 0.82 KCNH2 (0.42) KDM4EL3MBTL1TDP1HTTSMN1; SMN2
SCHEMBL795657 0.81 HDAC4 (0.40) KDM4EL3MBTL1TDP1HTTRAB9A
SCHEMBL15477324 0.80 MAPK1 (0.49) KDM4EKMT2AHTTRAB9AMEN1

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 11 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-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
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 KDM4E 3067/4885L3MBTL1 4747/4885TDP1 4176/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KDM4E 3067/4885L3MBTL1 4747/4885TDP1 4176/4885

“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.