SCHEMBL12507390

SCHEMBL12507390

CC(C)(C)OC(=O)n1ncc2c(Cl)c(C(=O)NNC(N)=S)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.37
▸ ROCK2 O75116 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ CA1 P00915 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAP2K4 P45985 1/20 0.34
▸ EEF2K O00418 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PRKX P51817 1/20 0.33
▸ NEK4 P51957 1/20 0.33
▸ PRKG2 Q13237 1/20 0.33

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
SCHEMBL3614409 0.81 KMT2A (0.40) NR3C1ROCK2ROCK1CHEK2PRKACA
SCHEMBL12507224 0.78 MEN1 (0.40) ROCK2POLBHTTALDH1A1KDM4E
SCHEMBL25395149 0.75 ELANE (0.39) NR3C1ROCK2ROCK1CHEK2PRKACA
SCHEMBL31050058 0.75 ELANE (0.39) NR3C1ROCK2ROCK1CHEK2PRKACA
SCHEMBL31106018 0.73 ROCK2 (0.41) NR3C1ROCK2ROCK1CHEK2PRKACA
SCHEMBL12361357 0.72 ROCK2 (0.35) NR3C1ROCK2ROCK1CHEK2PRKACA
SCHEMBL3695671 0.70 KMT2A (0.46) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL1580313 0.69 GABRG2 (0.39) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL1580317 0.69 ELANE (0.39) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL2010717 0.69 CYP11B2 (0.40) POLBMAP2K4ELANEEGFRITK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102197-B1 5-([1,3,4]OXADIAZOL-2-YL)-1H-INDAZOL AND 5-([1,3,4]THIADIAZOL-2-YL)-1H-INDAZOL DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2011-07-13 — — EP disclosed
US-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 — — US disclosed
US-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 — — US disclosed
WO-2008086854-A1 5-([1,3,4] OXADIAZOL-2-YL)-1H-INDAZOL AND 5-([1,3,4] THIADIAZOL-2-YL)-1H-INDAZOL DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2008-07-24 — — 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 (1 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-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES SGK2, SGK1, SGK3 NR3C1 915/4885ROCK2 1210/4885ROCK1 864/4885

“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.

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