SCHEMBL12507128

SCHEMBL12507128

C[C@H](Nc1nnc(-c2ccc3[nH]ncc3c2)o1)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.53
▸ CDK2 P24941 2/20 0.53
▸ CCNE1 P24864 1/20 0.53
▸ DBF4 Q9UBU7 1/20 0.53
▸ PIM1 P11309 8/20 0.48
▸ PIM2 Q9P1W9 6/20 0.48
▸ PIM3 Q86V86 4/20 0.48
▸ RPS6KB1 P23443 3/20 0.46
▸ ROCK2 O75116 8/20 0.46
▸ ROCK1 Q13464 6/20 0.46
▸ GSK3B P49841 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ DYRK3 O43781 2/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ CLK2 P49760 2/20 0.41
▸ CSNK2A1 P68400 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL12506927 1.00 CDC7 (0.53) CDC7CDK2CCNE1DBF4PIM1
SCHEMBL12506948 0.86 CDC7 (0.51) CDC7CDK2CCNE1DBF4PIM1
SCHEMBL2190058 0.84 CDC7 (0.48) CDC7CDK2CCNE1DBF4PIM1
SCHEMBL12506930 0.83 RPS6KB1 (0.42) CDC7CDK2CCNE1DBF4PIM1
SCHEMBL12507238 0.83 RPS6KB1 (0.42) CDC7CDK2CCNE1DBF4PIM1
SCHEMBL12507095 0.83 CDC7 (0.51) CDC7CDK2CCNE1DBF4PIM1
SCHEMBL12507110 0.83 CDC7 (0.51) CDC7CDK2CCNE1DBF4PIM1
SCHEMBL12507115 0.81 CDC7 (0.42) CDC7CDK2CCNE1DBF4PIM1
SCHEMBL12507112 0.80 CDC7 (0.41) CDC7CDK2CCNE1DBF4PIM1
SCHEMBL8173438 0.74 ROCK1 (0.44) RPS6KB1ROCK2ROCK1

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 CDC7 711/4885CDK2 445/4885CCNE1 888/4885

“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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