SCHEMBL796060

SCHEMBL796060

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
NPC1 O15118 1/20 0.34
DHFR P00374 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TNF P01375 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NOD1 Q9Y239 1/20 0.33
BRAF P15056 1/20 0.33
PIK3R1 P27986 1/20 0.33
AKR1C3 P42330 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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 0.93 HDAC4 (0.39) HDAC4KCNH2MCHR1DHFRKDM4E
SCHEMBL796009 0.91 KCNH2 (0.40) HDAC4KCNH2MCHR1DHFRKDM4E
SCHEMBL795797 0.88 KCNH2 (0.30) KCNH2MCHR1
SCHEMBL808345 0.88 KCNH2 (0.30) KCNH2MCHR1
SCHEMBL796333 0.85 HDAC4 (0.37) HDAC4KCNH2MCHR1NPC1DHFR
SCHEMBL795504 0.85 KCNH2 (0.41) HDAC4KCNH2MCHR1DHFRKDM4E
SCHEMBL796542 0.85 L3MBTL1 (0.35) NPC1LMNAMAPTRAB9A
SCHEMBL16406145 0.84
SCHEMBL807783 0.84 KCNH2 (0.36) HDAC4KCNH2MCHR1DHFRKDM4E
SCHEMBL15480828 0.82 KCNH2 (0.33) KCNH2MCHR1DHFRMAPT

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 HDAC4 781/4885KCNH2 830/4885MCHR1 2594/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HDAC4 781/4885KCNH2 830/4885MCHR1 2594/4885

“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.