Sugi Predict

Sugi Predict / Compounds / SCHEMBL492873

SCHEMBL492873

SCHEMBL492873

CC(C)(C)OC(=O)c1n[nH]c2cc(Br)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ PDPK1 O15530 2/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GABRA1 P14867 4/20 0.39
▸ GABRG2 P18507 4/20 0.39
▸ GABRB3 P28472 4/20 0.39
▸ GABRA5 P31644 4/20 0.39
▸ GABRA3 P34903 4/20 0.39
▸ GABRA2 P47869 4/20 0.39
▸ GABRA6 Q16445 4/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ AXL P30530 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1964170 0.89 PDPK1 (0.50) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL30117854 0.85 ATM (0.44) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL498163 0.84 KDM4E (0.63) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL30258217 0.84 KDM4E (0.63) DYRK1AIDO1PDPK1JAK2GSK3B
Tert-Butyl Formate SCHEMBL27760082 0.82 PDPK1 (0.43) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL492120 0.81 KDM4E (0.43) GSK3BKDM4ESTAT3HIF1AALDH1A1
SCHEMBL492203 0.81 KDM4E (0.66) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL5435670 0.80 KDM4E (0.69) KDM4ESTAT3HIF1AALDH1A1LMNA
SCHEMBL15077318 0.79 DYRK1A (0.61) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL30301502 0.79 DYRK1A (0.61) DYRK1AIDO1PDPK1JAK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 — — EP disclosed
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 — — US disclosed
CN-106536507-B 2, 3-disubstituted pyridine compounds as TGF- β inhibitors and methods of use thereof 里格尔药品股份有限公司 2020-04-07 — — CN disclosed
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 — — US disclosed
EP-3129367-B1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2019-09-04 — — EP disclosed
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2019-03-19 — — US disclosed
US-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 — — US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 — — US disclosed
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use MIDCAP FINANCIAL TRUST 2017-04-06 — — US disclosed
CN-106536507-A 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use 里格尔药品股份有限公司 2017-03-22 — — CN disclosed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 — — US disclosed
WO-2006069097-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2006-06-29 — — WO disclosed
WO-2006001894-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICAL CORPORATION (US) 2006-01-05 — — WO disclosed
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-12-08 — — US disclosed
WO-2005111038-A2 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-11-24 — — WO disclosed
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 — — US disclosed
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 — — US disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 — — WO disclosed
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-08-11 — — US disclosed
WO-2005063767-A2 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-14 — — 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 (10 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-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof CHRNA7, CHRNA1, CHRNA5 DYRK1A 2107/4885IDO1 850/4885PDPK1 1320/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 DYRK1A 3406/4885IDO1 308/4885PDPK1 948/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 DYRK1A 4041/4885IDO1 3926/4885PDPK1 3254/4885
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 DYRK1A 1558/4885IDO1 65/4885PDPK1 2249/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 DYRK1A 2300/4885IDO1 468/4885PDPK1 741/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 DYRK1A 2482/4885IDO1 559/4885PDPK1 928/4885
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof CHRNA7, CHRNA5, CHRNA6 DYRK1A 2366/4885IDO1 3175/4885PDPK1 3339/4885
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR1, TGFBR2, ACVR1 DYRK1A 3406/4885IDO1 308/4885PDPK1 948/4885
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA1 DYRK1A 1504/4885IDO1 24/4885PDPK1 1778/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 DYRK1A 2462/4885IDO1 1484/4885PDPK1 2512/4885

“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.