SCHEMBL795504

SCHEMBL795504

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
BRAF P15056 1/20 0.37
PIK3R1 P27986 1/20 0.37
HDAC4 P56524 2/20 0.37
SPR P35270 3/20 0.35
DHFR P00374 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
LSS P48449 1/20 0.33

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
SCHEMBL795475 0.90 KCNH2 (0.43) KCNH2MCHR1BRAFPIK3R1SPR
SCHEMBL795714 0.89 HDAC4 (0.39) KCNH2MCHR1BRAFPIK3R1HDAC4
SCHEMBL807783 0.86 KCNH2 (0.36) KCNH2MCHR1BRAFPIK3R1HDAC4
SCHEMBL796060 0.85 HDAC4 (0.36) KCNH2MCHR1BRAFPIK3R1HDAC4
SCHEMBL796333 0.84 HDAC4 (0.37) KCNH2MCHR1BRAFPIK3R1HDAC4
SCHEMBL808339 0.84 L3MBTL1 (0.37) GPR119MAPTL3MBTL1ALDH1A1HPGD
SCHEMBL796009 0.84 KCNH2 (0.40) KCNH2MCHR1BRAFPIK3R1HDAC4
SCHEMBL15476949 0.83 KCNH2 (0.42) KCNH2MCHR1HDAC4SPRMAPT
SCHEMBL808327 0.83 ALDH1A1 (0.32) KCNH2MCHR1HDAC4ALDH1A1
SCHEMBL15477411 0.83 ALDH1A1 (0.32) KCNH2MCHR1HDAC4ALDH1A1

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 14 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
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 2594/4885BRAF 3741/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KCNH2 830/4885MCHR1 2594/4885BRAF 3741/4885

“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.