Sugi Predict

Sugi Predict / Compounds / SCHEMBL795475

SCHEMBL795475

SCHEMBL795475

CCOC1CCN(C(=O)c2nc(-c3nc(N)nc(N(C)c4ccccc4)n3)no2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ DHFR P00374 6/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ BRAF P15056 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SPR P35270 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
SCHEMBL795504 0.90 KCNH2 (0.41) KCNH2MCHR1DHFRKDM4EBRAF
SCHEMBL796009 0.86 KCNH2 (0.40) KCNH2MCHR1DHFRKDM4EBRAF
SCHEMBL796205 0.86 SMN1; SMN2 (0.40) KCNH2MCHR1DHFRL3MBTL1HPGD
SCHEMBL795899 0.85 SMN1; SMN2 (0.39) KCNH2MCHR1DHFRKDM4EMAPT
SCHEMBL797024 0.84 MAPT (0.44) MAPTHPGDALDH1A1HTT
SCHEMBL795523 0.83 KCNH2 (0.36) KCNH2MCHR1DHFRL3MBTL1ALDH1A1
SCHEMBL15480829 0.83 KCNH2 (0.36) KCNH2MCHR1DHFRL3MBTL1ALDH1A1
SCHEMBL16406150 0.83 KCNH2 (0.36) KCNH2MCHR1DHFRKDM4EBRAF
SCHEMBL795714 0.82 HDAC4 (0.39) KCNH2MCHR1DHFRKDM4EBRAF
SCHEMBL807783 0.82 KCNH2 (0.36) KCNH2MCHR1DHFRKDM4EBRAF

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.