SCHEMBL2596586

SCHEMBL2596586

CNC1CCC(C)(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
ACHE P22303 1/20 0.31
CHRNB2 P17787 4/20 0.31
CHRNB4 P30926 4/20 0.31
CHRNA3 P32297 4/20 0.31
CHRNA7 P36544 4/20 0.31
CHRNA4 P43681 4/20 0.31
CHRNA1 P02708 3/20 0.31
CHRNG P07510 3/20 0.31
CHRNB1 P11230 3/20 0.31
CHRND Q07001 3/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
CHRNE Q04844 1/20 0.31
CHRNA2 Q15822 1/20 0.31

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
SCHEMBL2596585 1.00 ESR2 (0.38) ESR2ACHECHRNB2CHRNB4CHRNA3
SCHEMBL5044295 1.00 ESR2 (0.38) ESR2ACHECHRNB2CHRNB4CHRNA3
SCHEMBL26701336 0.85
SCHEMBL26701338 0.85
SCHEMBL25782510 0.85
SCHEMBL26701334 0.85
SCHEMBL26701341 0.85
SCHEMBL2593362 0.79 ESR2 (0.38) ESR2
SCHEMBL7818441 0.78 EPHX2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL20940060 0.77 ESR2 (0.36) ESR2

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988482-B2 IRAK4 inhibitor and use thereof Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2021-04-27 US disclosed
US-10988482-B2 IRAK4 inhibitor and use thereof Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2021-04-27 US disclosed
WO-2021074227-A1 2-METHYL-AZA-QUINAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-22 WO disclosed
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors INCYTE CORPORATION (US) 2021-04-13 US disclosed
CN-107531725-B IRAK4 inhibitor and application thereof 北京韩美药品有限公司 2021-03-19 CN disclosed
EP-3336091-B1 IRAK4 INHIBITOR AND USE THEREOF BEIJING HANMI PHARMACEUTICAL CO LTD (CN) 2020-12-02 EP disclosed
EP-3336091-B1 IRAK4 INHIBITOR AND USE THEREOF BEIJING HANMI PHARMACEUTICAL CO LTD (CN) 2020-12-02 EP disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 EP disclosed
US-20200062775-A1 IRAK4 INHIBITOR AND USE THEREOF Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2020-02-27 US disclosed
EP-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 EP disclosed
CN-1774437-A 7-([1,4]dioxan-2-yl)-benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
EP-1633355-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2006-03-15 EP disclosed
EP-1615919-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-6872833-B2 Adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2005-03-29 US disclosed
WO-2004105755-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-12-09 WO disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 US disclosed
WO-2004089949-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO disclosed
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-14 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 (5 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-10988482-B2 IRAK4 inhibitor and use thereof IRAK4, IRAK1, IRAK2 ESR2 3225/4885ACHE 4259/4885CHRNB2 4497/4885
US-20040235915-A1 Benzothiazole derivatives ADORA1, ADORA2A, ADORA3 ESR2 620/4885ACHE 512/4885CHRNB2 65/4885
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS ADORA1, ADORA2A, ADORA3 ESR2 589/4885ACHE 3380/4885CHRNB2 381/4885
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors PIK3R5, PIK3CD, PIK3CA ESR2 2010/4885ACHE 3587/4885CHRNB2 3305/4885
US-20200062775-A1 IRAK4 INHIBITOR AND USE THEREOF IRAK4, IRAK1, IRAK2 ESR2 3225/4885ACHE 4259/4885CHRNB2 4497/4885

“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.