SCHEMBL2190317

SCHEMBL2190317

COc1cccc(CNc2nnc(-c3ccc4[nH]nc(Cl)c4c3)o2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 7/20 0.58
▸ CDK2 P24941 6/20 0.58
▸ CCNE1 P24864 5/20 0.58
▸ DBF4 Q9UBU7 5/20 0.58
▸ ROCK2 O75116 2/20 0.46
▸ PIM1 P11309 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ QPCT Q16769 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ PRKACA P17612 2/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ GSK3A P49840 1/20 0.43

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
SCHEMBL12506950 0.89 CDC7 (0.74) CDC7CDK2CCNE1DBF4ROCK2
SCHEMBL12506949 0.82 CDC7 (0.74) CDC7CDK2CCNE1DBF4ROCK2
SCHEMBL12507100 0.81 PIM1 (0.48) CDC7CDK2CCNE1DBF4ROCK2
SCHEMBL12507124 0.80 CDC7 (0.56) CDC7CDK2CCNE1DBF4PIM1
SCHEMBL2189331 0.79 CDC7 (0.47) CDC7CDK2CCNE1DBF4ROCK2
SCHEMBL12507217 0.78 CDC7 (0.78) CDC7CDK2CCNE1DBF4ROCK2
SCHEMBL12506935 0.76 CDC7 (0.66) CDC7CDK2CCNE1DBF4PIM1
SCHEMBL12506929 0.76 CDC7 (0.78) CDC7CDK2CCNE1DBF4ROCK2
SCHEMBL2190120 0.76 CDC7 (0.47) CDC7CDK2CCNE1DBF4ROCK2
SCHEMBL12507127 0.76 CDC7 (0.52) CDC7CDK2CCNE1DBF4ROCK2

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 8 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
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
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
EP-2102197-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) 2009-09-23 — — EP 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
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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