SCHEMBL807783

SCHEMBL807783

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
MAPT P10636 3/20 0.35
HDAC4 P56524 2/20 0.35
BRAF P15056 1/20 0.34
PIK3R1 P27986 1/20 0.34
DHFR P00374 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
ACHE P22303 1/20 0.32
LMNA P02545 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
SCHEMBL796333 0.89 HDAC4 (0.37) KCNH2MCHR1MAPTHDAC4BRAF
SCHEMBL795504 0.86 KCNH2 (0.41) KCNH2MCHR1MAPTHDAC4BRAF
SCHEMBL795714 0.84 HDAC4 (0.39) KCNH2MCHR1MAPTHDAC4BRAF
SCHEMBL795810 0.84 L3MBTL1 (0.37) MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL796060 0.84 HDAC4 (0.36) KCNH2MCHR1MAPTHDAC4BRAF
SCHEMBL795057 0.84 MAPT (0.42) KCNH2MCHR1MAPTHDAC4L3MBTL1
SCHEMBL796205 0.83 SMN1; SMN2 (0.40) KCNH2MCHR1DHFRL3MBTL1ALDH1A1
SCHEMBL808342 0.82 KCNH2 (0.32) KCNH2MCHR1HDAC4BRAFPIK3R1
SCHEMBL795475 0.82 KCNH2 (0.43) KCNH2MCHR1MAPTBRAFPIK3R1
SCHEMBL796009 0.82 KCNH2 (0.40) KCNH2MCHR1MAPTHDAC4BRAF

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 11 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
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 2594/4885MAPT 2602/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KCNH2 830/4885MCHR1 2594/4885MAPT 2602/4885

“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.