SCHEMBL796205

SCHEMBL796205

CN(c1ccccc1)c1nc(N)nc(-c2noc(C(=O)N3CCCC3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
LMNA P02545 5/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
DHFR P00374 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL795899 0.99 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AKCNH2MCHR1
SCHEMBL797024 0.92 MAPT (0.44) SMN1; SMN2NPC1RAB9ALMNATSHR
SCHEMBL795475 0.86 KCNH2 (0.43) KCNH2MCHR1ALDH1A1HPGDDHFR
SCHEMBL796009 0.86 KCNH2 (0.40) SMN1; SMN2RAB9AKCNH2MCHR1LMNA
SCHEMBL796103 0.84 SCD5 (0.39) NPC1RAB9AKMT2AMEN1
SCHEMBL808342 0.84 KCNH2 (0.32) NPC1RAB9AKCNH2MCHR1LMNA
SCHEMBL807783 0.83 KCNH2 (0.36) KCNH2MCHR1LMNAALDH1A1HPGD
SCHEMBL795504 0.83 KCNH2 (0.41) KCNH2MCHR1ALDH1A1HPGDDHFR
SCHEMBL16406150 0.82 KCNH2 (0.36) SMN1; SMN2KCNH2MCHR1LMNANPSR1
SCHEMBL795714 0.81 HDAC4 (0.39) SMN1; SMN2RAB9AKCNH2MCHR1LMNA

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
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
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 SMN1; SMN2 1684/4885NPC1 3204/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SMN1; SMN2 1684/4885NPC1 3204/4885RAB9A 4766/4885

“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.