SCHEMBL796009

SCHEMBL796009

CN(c1ccccc1)c1nc(N)nc(-c2noc(C(=O)N3CCC(COCC4CC4)CC3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
DHFR P00374 5/20 0.37
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TNF P01375 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
NOD1 Q9Y239 1/20 0.35
BRAF P15056 1/20 0.35
PIK3R1 P27986 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC4 P56524 1/20 0.35
DCPS Q96C86 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
PTGIR P43119 1/20 0.34

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
SCHEMBL795714 0.92 HDAC4 (0.39) KCNH2MCHR1DHFRMAPTKDM4E
SCHEMBL796060 0.91 HDAC4 (0.36) KCNH2MCHR1DHFRMAPTKDM4E
SCHEMBL795591 0.90 KCNH2 (0.33) KCNH2MCHR1DHFRMAPTL3MBTL1
SCHEMBL15480828 0.90 KCNH2 (0.33) KCNH2MCHR1DHFRMAPTL3MBTL1
SCHEMBL795475 0.86 KCNH2 (0.43) KCNH2MCHR1DHFRMAPTKDM4E
SCHEMBL16406146 0.86 CNR2 (0.34) KCNH2MCHR1DHFR
SCHEMBL796205 0.86 SMN1; SMN2 (0.40) KCNH2MCHR1DHFRLMNARAB9A
SCHEMBL795899 0.85 SMN1; SMN2 (0.39) KCNH2MCHR1DHFRMAPTKDM4E
SCHEMBL16406150 0.85 KCNH2 (0.36) KCNH2MCHR1DHFRMAPTKDM4E
SCHEMBL796333 0.84 HDAC4 (0.37) KCNH2MCHR1DHFRMAPTKDM4E

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
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

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 KCNH2 830/4885MCHR1 2594/4885DHFR 1553/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KCNH2 830/4885MCHR1 2594/4885DHFR 1553/4885

“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.