SCHEMBL12507122

SCHEMBL12507122

COc1cc(CNc2nnc(-c3ccc4[nH]ncc4c3F)o2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 5/20 0.43
▸ CCNE1 P24864 5/20 0.43
▸ CDK2 P24941 5/20 0.43
▸ DBF4 Q9UBU7 5/20 0.43
▸ ROCK2 O75116 3/20 0.41
▸ ROCK1 Q13464 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDR P35968 2/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ QPCT Q16769 2/20 0.36
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL2190120 0.85 CDC7 (0.47) CDC7CCNE1CDK2DBF4ROCK2
SCHEMBL12506922 0.82 CDC7 (0.56) CDC7CCNE1CDK2DBF4KDR
SCHEMBL12506934 0.79 TDO2 (0.57) CDC7CCNE1CDK2DBF4KDR
SCHEMBL2189331 0.74 CDC7 (0.47) CDC7CCNE1CDK2DBF4ROCK2
SCHEMBL12507123 0.70 ROCK2 (0.42) CDC7CCNE1CDK2DBF4ROCK2
SCHEMBL12507115 0.67 CDC7 (0.42) CDC7CCNE1CDK2DBF4ROCK2
SCHEMBL12506935 0.65 CDC7 (0.66) CDC7CCNE1CDK2DBF4PIM1
SCHEMBL12506949 0.65 CDC7 (0.74) CDC7CCNE1CDK2DBF4ROCK2
SCHEMBL31411430 0.64 BRD4 (0.47) KDM4EALDH1A1RAF1BRAF
SCHEMBL1965644 0.64 BRD4 (0.47) KDM4EALDH1A1RAF1BRAF

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 711/4885CCNE1 888/4885CDK2 445/4885

“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.

Send feedback