SCHEMBL1964170

SCHEMBL1964170

CC(C)(C)OC(=O)c1n[nH]c2ccc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.50
JAK2 O60674 2/20 0.50
KDM4E B2RXH2 2/20 0.44
STAT3 P40763 1/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
DYRK1A Q13627 2/20 0.42
FLT3 P36888 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DCLK1 O15075 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
CSF1R P07333 1/20 0.42
FER P16591 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
FLT4 P35916 1/20 0.42
MAPK9 P45984 1/20 0.42

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
Tert-Butyl Formate SCHEMBL27760082 0.93 PDPK1 (0.43) PDPK1JAK2KDM4ESTAT3HIF1A
SCHEMBL492873 0.89 DYRK1A (0.50) PDPK1JAK2KDM4ESTAT3HIF1A
SCHEMBL30117854 0.85 ATM (0.44) PDPK1JAK2KDM4EALDH1A1LMNA
SCHEMBL23901082 0.84 MAP2K4 (0.47) KDM4ESTAT3HIF1AALDH1A1LMNA
SCHEMBL4291226 0.84 KDM4E (0.63) PDPK1JAK2KDM4ESTAT3HIF1A
SCHEMBL27992673 0.83 GABRA1 (0.56) JAK2KDM4ESTAT3HIF1AALDH1A1
SCHEMBL1963000 0.81 KDM4E (0.43) JAK2KDM4ESTAT3HIF1AALDH1A1
SCHEMBL1636035 0.81 KDM4E (0.66) PDPK1JAK2KDM4EALDH1A1LMNA
SCHEMBL5435670 0.80 KDM4E (0.69) KDM4ESTAT3HIF1AALDH1A1LMNA
SCHEMBL9436096 0.79 PDPK1 (0.59) PDPK1JAK2KDM4ESTAT3HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916771-B Multi-target antitumor compound and preparation method and application thereof 浙江华海药业股份有限公司 2025-04-01 CN disclosed
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP disclosed
EP-3259264-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-07-27 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-9981944-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC (US) 2018-05-29 US disclosed
US-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2013-08-22 US disclosed
US-8486937-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and use thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2013-07-16 US disclosed
US-8263619-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-11 US disclosed
US-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF XIE WENGE (US) 2011-12-29 US disclosed
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2010-04-29 US disclosed
WO-2008079880-A1 6-AMINOIMIDAZO[1,2-B]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION ALCON RESEARCH, LTD. (US) 2008-07-03 WO disclosed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP 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

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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 PDPK1 2496/4885JAK2 2835/4885KDM4E 3273/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 PDPK1 2512/4885JAK2 2866/4885KDM4E 3317/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 PDPK1 948/4885JAK2 775/4885KDM4E 794/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 PDPK1 741/4885JAK2 713/4885KDM4E 984/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 PDPK1 928/4885JAK2 746/4885KDM4E 1322/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 PDPK1 2496/4885JAK2 2835/4885KDM4E 3273/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 PDPK1 2512/4885JAK2 2866/4885KDM4E 3317/4885

“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.