SCHEMBL17306140

SCHEMBL17306140

CC(C)O[C@H]1CCN(C(=O)[C@@H](C)O)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 10/20 0.36
DPP7 Q9UHL4 4/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 2/20 0.36
PDE4B Q07343 1/20 0.34
ROCK2 O75116 1/20 0.34
CYP3A4 P08684 1/20 0.34
HMOX1 P09601 1/20 0.33
HSD11B1 P28845 1/20 0.32
BTK Q06187 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
SCHEMBL12448279 1.00 MEN1 (0.36) MEN1ALDH1A1KMT2ADPP4DPP7
SCHEMBL12448278 1.00 MEN1 (0.36) MEN1ALDH1A1KMT2ADPP4DPP7
SCHEMBL20934784 1.00 MEN1 (0.36) MEN1ALDH1A1KMT2ADPP4DPP7
SCHEMBL17306184 1.00 MEN1 (0.36) MEN1ALDH1A1KMT2ADPP4DPP7
SCHEMBL17306170 1.00 MEN1 (0.36) MEN1ALDH1A1KMT2ADPP4DPP7
SCHEMBL16131147 1.00 MEN1 (0.36) MEN1ALDH1A1KMT2ADPP4DPP7
SCHEMBL17660709 0.90 DPP4 (0.38) ALDH1A1DPP4DPP7PDE4BBTK
SCHEMBL17660711 0.90 DPP4 (0.38) ALDH1A1DPP4DPP7PDE4BBTK
SCHEMBL10328208 0.89 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ADPP4DPP7
SCHEMBL20929383 0.89 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ADPP4DPP7

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 6 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
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 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 MEN1 3091/4885ALDH1A1 4260/4885KMT2A 1865/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MEN1 3091/4885ALDH1A1 4260/4885KMT2A 1865/4885
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS MEN1 3091/4885ALDH1A1 4260/4885KMT2A 1865/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS MEN1 3091/4885ALDH1A1 4260/4885KMT2A 1865/4885

“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.