SCHEMBL20765259

SCHEMBL20765259

CC(C)(C)[Si](C)(C)OC[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.40
ADRB2 P07550 8/20 0.40
ADRB1 P08588 7/20 0.40
SLC2A1 P11166 3/20 0.40
IDO1 P14902 2/20 0.39
AOC3 Q16853 1/20 0.37
CASR P41180 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1155330 1.00 ADRB3 (0.40) ADRB3ADRB2ADRB1SLC2A1IDO1
SCHEMBL30781997 1.00 ADRB3 (0.40) ADRB3ADRB2ADRB1SLC2A1IDO1
Imidazole SCHEMBL29141761 0.87 ADRB3 (0.35) ADRB3ADRB2ADRB1SLC2A1IDO1
SCHEMBL22446179 0.84 SLC2A1 (0.42) ADRB3ADRB2ADRB1SLC2A1IDO1
SCHEMBL21587627 0.83 SCN4A (0.41) IDO1AOC3
SCHEMBL8257719 0.83 MAPT (0.38) IDO1CYP2D6
SCHEMBL28662416 0.83 SCN4A (0.41) IDO1AOC3
SCHEMBL5425144 0.82 AOC3 (0.42) IDO1AOC3
SCHEMBL1154778 0.82 AOC3 (0.42) IDO1AOC3
SCHEMBL15229067 0.82 SLC6A2 (0.40) ADRB3ADRB2ADRB1ADRA1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12133841-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof JS INNOMED HOLDINGS LTD. (KY) 2024-11-05 US disclosed
CN-112638917-B Heterocyclic compounds as kinase inhibitors, compositions comprising the same, and methods of use thereof 捷思英达控股有限公司 2023-09-08 CN disclosed
CN-111032656-B Heterocyclic compound kinase inhibitor and pharmaceutical composition and application thereof 捷思英达医药技术(上海)有限公司 2022-12-02 CN disclosed
US-11242334-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2022-02-08 US disclosed
US-11242334-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2022-02-08 US disclosed
US-20210188868-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2021-06-24 US disclosed
US-20210188868-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2021-06-24 US disclosed
EP-3797109-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS Innomed Holdings Ltd. (KY) 2021-03-31 EP disclosed
US-20200239438-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-07-30 US disclosed
US-20200239438-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-07-30 US disclosed
EP-3672973-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS Innopharm (Shanghai) Ltd. (CN) 2020-07-01 EP disclosed
CN-111032656-A Heterocyclic compound kinase inhibitor and pharmaceutical composition and application thereof 捷思英达医药技术(上海)有限公司 2020-04-17 CN disclosed
WO-2019037640-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-02-28 WO disclosed
WO-2019037640-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-02-28 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 (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-20200239438-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF MAP3K20, MAP3K19, MAP3K1 ADRB3 2490/4885ADRB2 2652/4885ADRB1 2282/4885
US-20210188868-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF MAP3K11, MAP3K13, MAP3K1 ADRB3 1845/4885ADRB2 2175/4885ADRB1 1842/4885
US-11242334-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof MAP3K20, MAP3K19, MAP3K1 ADRB3 2490/4885ADRB2 2652/4885ADRB1 2282/4885
US-12133841-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof MAP3K11, MAP3K13, MAP3K1 ADRB3 1845/4885ADRB2 2175/4885ADRB1 1842/4885

“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.