SCHEMBL796454

SCHEMBL796454

Nc1nc(Nc2ccccc2)nc(-c2noc(C(=O)N3Cc4ccccc4C3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
HSP90AA1 P07900 5/20 0.46
HSP90AB1 P08238 3/20 0.46
ALDH1A1 P00352 3/20 0.41
CDK9 P50750 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL796307 0.88 KDM4E (0.48) KDM4EMAPK1HTTALDH1A1CDK9
SCHEMBL15482841 0.85 TSHR (0.47) KDM4EMAPK1HTTALDH1A1NPC1
SCHEMBL795266 0.82 CDK9 (0.47) KDM4EHTTALDH1A1CDK9NPC1
SCHEMBL795836 0.80 SMN1; SMN2 (0.43) KDM4EMAPK1HTTALDH1A1NPC1
SCHEMBL796314 0.79 CDK9 (0.40) KDM4EMAPK1HTTALDH1A1CDK9
SCHEMBL15477367 0.79 KCNH2 (0.44) KDM4EMAPK1HTTALDH1A1NPC1
SCHEMBL795057 0.78 MAPT (0.42) KDM4EMAPK1HTTALDH1A1NPC1
SCHEMBL15476949 0.77 KCNH2 (0.42) KDM4EMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL795967 0.77 NTRK1 (0.43) MAPK1HTTALDH1A1CDK9NPC1
SCHEMBL795489 0.76 ADORA2A (0.47) HTTALDH1A1MEN1MAPTTSHR

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 10 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-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 3067/4885MAPK1 3234/4885HTT 3966/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KDM4E 3067/4885MAPK1 3234/4885HTT 3966/4885

“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.