SCHEMBL795217

SCHEMBL795217

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ncccc3NCC3CC3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.35
KDM6B O15054 4/20 0.33
KDM4C Q9H3R0 4/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
KHK P50053 2/20 0.31
APP P05067 1/20 0.31
ADRA2A P08913 1/20 0.31
NPY5R Q15761 1/20 0.31
GPR68 Q15743 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL795815 0.87 MERTK (0.34) HIF1AL3MBTL1
SCHEMBL796077 0.86 MERTK (0.36) TRPM8L3MBTL1
SCHEMBL795816 0.84 ALDH1A1 (0.36) HIF1A
SCHEMBL795276 0.82 SMN1; SMN2 (0.35) L3MBTL1
SCHEMBL795929 0.81 PKM (0.39) GPR68L3MBTL1
SCHEMBL796607 0.81 L3MBTL1 (0.32) L3MBTL1
SCHEMBL795965 0.80 ALOX5AP (0.36) NPY5R
SCHEMBL796206 0.80 SMN1; SMN2 (0.34) L3MBTL1
SCHEMBL796278 0.80 GRM5 (0.39) L3MBTL1
SCHEMBL795819 0.80 SMN1; SMN2 (0.36) L3MBTL1

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 HIF1A 610/4885KDM6B 4117/4885KDM4C 3126/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HIF1A 610/4885KDM6B 4117/4885KDM4C 3126/4885

“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.