SCHEMBL17306175

SCHEMBL17306175

CC(C)OC1CCN(C(=O)CC#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ IRAK4 Q9NWZ3 6/20 0.39
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ JAK3 P52333 3/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ PIK3CD O00329 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
SCHEMBL17306173 0.91 IRAK4 (0.39) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL25560158 0.91 IRAK4 (0.39) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL17308267 0.82 ALDH1A1 (0.42) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL12448252 0.80 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL11990249 0.79 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL12448251 0.79 CPN1 (0.50) ALDH1A1TLR9TLR8TLR7NPC1
SCHEMBL23315813 0.79 PIK3CD (0.39) ALDH1A1MEN1MAPTKMT2AIRAK4
SCHEMBL17660719 0.79 TBK1 (0.36) IRAK4JAK2DPP4
SCHEMBL15430960 0.78 KMT2A (0.47) ALDH1A1MAPTKMT2AL3MBTL1TLR9
SCHEMBL12448274 0.78 NPC1 (0.43) ALDH1A1TLR8TLR7NPC1KCNQ3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 — — EP disclosed
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-01-17 — — US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 — — US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 — — US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 — — US 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 (4 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885MEN1 3091/4885MAPT 2232/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885MEN1 3091/4885MAPT 2232/4885
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885MEN1 3091/4885MAPT 2232/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885MEN1 3091/4885MAPT 2232/4885

“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.

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