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SCHEMBL808342

SCHEMBL808342

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

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HDAC4 P56524 4/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ BRAF P15056 1/20 0.30
▸ PIK3R1 P27986 1/20 0.30

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
SCHEMBL796205 0.84 SMN1; SMN2 (0.40) KCNH2MCHR1LMNAL3MBTL1ALDH1A1
SCHEMBL795498 0.84 L3MBTL1 (0.33) LMNAL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL795899 0.83 SMN1; SMN2 (0.39) KCNH2MCHR1LMNAL3MBTL1ALDH1A1
SCHEMBL797024 0.82 MAPT (0.44) LMNAHDAC4HDAC8HDAC6ALDH1A1
SCHEMBL795504 0.82 KCNH2 (0.41) KCNH2MCHR1HDAC4L3MBTL1ALDH1A1
SCHEMBL807783 0.82 KCNH2 (0.36) KCNH2MCHR1LMNAHDAC4L3MBTL1
SCHEMBL795714 0.81 HDAC4 (0.39) KCNH2MCHR1LMNAHDAC4HDAC8
SCHEMBL796333 0.81 HDAC4 (0.37) KCNH2MCHR1HDAC4L3MBTL1ALDH1A1
SCHEMBL796060 0.80 HDAC4 (0.36) KCNH2MCHR1LMNAHDAC4NPC1
SCHEMBL16406150 0.78 KCNH2 (0.36) KCNH2MCHR1LMNAHDAC4L3MBTL1

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 12 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
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 2594/4885LMNA 4798/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KCNH2 830/4885MCHR1 2594/4885LMNA 4798/4885

“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.