Sugi Predict

Sugi Predict / Compounds / SCHEMBL700756

SCHEMBL700756

SCHEMBL700756

Cn1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.54
▸ CLK2 P49760 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ TYK2 P29597 2/20 0.46
▸ SRC P12931 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ JAK3 P52333 1/20 0.44

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
SCHEMBL29741954 1.00 BTK (0.54) BTKCLK2KDM4ERAB9ATYK2
SCHEMBL1727627 0.92 BTK (0.47) BTKCLK2KDM4ERAB9ATYK2
SCHEMBL10201680 0.84 KDM4E (0.51) BTKCLK2KDM4ERAB9ATYK2
SCHEMBL1727460 0.83 BTK (0.44) BTKTYK2SRCJAK2JAK1
SCHEMBL16014700 0.83 BTK (0.59) BTKCLK2KDM4ERAB9ASRC
SCHEMBL709078 0.83 BTK (0.59) BTKCLK2KDM4ERAB9ATYK2
SCHEMBL19593978 0.83 BTK (0.61) BTKCLK2KDM4ERAB9ATYK2
SCHEMBL29742001 0.83 BTK (0.59) BTKCLK2KDM4ERAB9ATYK2
SCHEMBL14696711 0.82 TYK2 (0.39) BTKCLK2TYK2HPGDJAK2
SCHEMBL13139665 0.82 BTK (0.56) BTKCLK2KDM4ERAB9ATYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 — — US claimed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 — — US claimed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 — — EP claimed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 — — US disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 — — EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 — — EP disclosed
EP-3521288-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2021-09-08 — — EP disclosed
US-20210079002-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2021-03-18 — — US disclosed
US-RE48239-E1 Heteroaryl pyridone and aza-pyridone compounds GENETECH, INC. (US) 2020-10-06 — — US disclosed
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2020-02-27 — — US disclosed
CN-107011348-B Heteroaryl pyridone and aza-pyridone compounds as inhibitors of BTK activity 霍夫曼-拉罗奇有限公司 2020-01-10 — — CN disclosed
WO-2009156284-A1 NOVEL SUBSTITUTED PYRIDIN-2-ONES AND PYRIDAZIN-3-ONES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-30 — — WO disclosed
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk ROCHE PALO ALTO LLC 2009-12-24 — — US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 — — US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 — — US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 — — US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 — — US disclosed
WO-2009098144-A1 NOVEL PYRIDINONES AND PYRIDAZINONES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 — — WO disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 — — US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 — — EP 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 (7 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-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP BTK 2697/4885CLK2 3963/4885KDM4E 2265/4885
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk BTK, LCK, SYK BTK 1/4885CLK2 946/4885KDM4E 195/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP BTK 2957/4885CLK2 4221/4885KDM4E 2442/4885
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885CLK2 173/4885KDM4E 1352/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885CLK2 173/4885KDM4E 1352/4885
US-20210079002-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885CLK2 173/4885KDM4E 1352/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN BTK 1/4885CLK2 575/4885KDM4E 775/4885

“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.