SCHEMBL10588

SCHEMBL10588

CC(C)(C)OC(=O)n1ncc2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 2/20 0.46
CHEK2 O96017 1/20 0.46
PRKACA P17612 1/20 0.46
RPS6KA3 P51812 1/20 0.46
PAK1 Q13153 1/20 0.46
DYRK1A Q13627 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
TAOK1 Q7L7X3 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
GSK3B P49841 2/20 0.46
EEF2K O00418 1/20 0.46
MAP4K4 O95819 1/20 0.46
CLK2 P49760 1/20 0.46
PRKX P51817 1/20 0.46
NEK4 P51957 1/20 0.46
PRKG2 Q13237 1/20 0.46
PKN2 Q16513 1/20 0.46
AURKB Q96GD4 1/20 0.46
PBK Q96KB5 1/20 0.46

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
SCHEMBL9796 0.89 KMO (0.46) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL29507001 0.89 KMO (0.46) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL13539429 0.84 SLC22A12 (0.52) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL31414297 0.84 ROCK2 (0.49) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL20139305 0.84 ROCK2 (0.49) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL25281385 0.84 CHEK1 (0.47) TAOK1CLK4CHEK1AURKADAPK3
SCHEMBL2481963 0.83 EGFR (0.48) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL13165280 0.83 ROCK2 (0.46) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL625971 0.83 TAOK1 (0.65) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL25105304 0.83 ROCK2 (0.52) ROCK2ROCK1CHEK2PRKACARPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727537-A2 SIGLEC LIGANDS, CONJUGATES, AND METHODS OF USE THEREOF Adaxion Therapeutics, Inc. (US) 2026-04-22 EP disclosed
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 US disclosed
US-20250064941-A1 SIGLEC LIGANDS, CONJUGATES, AND METHODS OF USE THEREOF ADAXION THERAPEUTICS, INC. 2025-02-27 US disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed
WO-2024259007-A2 SIGLEC LIGANDS, CONJUGATES, AND METHODS OF USE THEREOF OSPREY BIOPHARMACEUTICALS, INC. (US) 2024-12-19 WO disclosed
CN-118475560-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2024-08-09 CN disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
CN-117417297-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2024-01-19 CN disclosed
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
EP-1708996-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2006086705-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-17 WO disclosed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 US disclosed
US-20060063766-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. 2006-03-23 US disclosed
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride CURIA GLOBAL, INC. 2006-03-09 US disclosed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO disclosed
WO-2005073219-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 WO disclosed
WO-2005073189-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 WO disclosed
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 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-20060063766-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin SLC6A3, SLC6A4, SLC6A2 ROCK2 1666/4885ROCK1 2224/4885CHEK2 2939/4885
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 ROCK2 191/4885ROCK1 149/4885CHEK2 1807/4885
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride OPRK1, OPRL1, OPRD1 ROCK2 3307/4885ROCK1 4155/4885CHEK2 3543/4885
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A ROCK2 3031/4885ROCK1 4323/4885CHEK2 3382/4885
US-20250064941-A1 SIGLEC LIGANDS, CONJUGATES, AND METHODS OF USE THEREOF SIGLEC7, SIGLEC9, CD2BP2 ROCK2 4105/4885ROCK1 4424/4885CHEK2 3374/4885
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER RARA, RARG, RARB ROCK2 483/4885ROCK1 406/4885CHEK2 1413/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 ROCK2 2430/4885ROCK1 1013/4885CHEK2 3680/4885

“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.