SCHEMBL2188384

SCHEMBL2188384

COc1cccc([C@@H](C)Nc2nnc(-c3ccc4[nH]nc(N)c4c3)o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.52
CDC7 O00311 1/20 0.52
CCNE1 P24864 1/20 0.52
DBF4 Q9UBU7 1/20 0.52
ROCK1 Q13464 3/20 0.50
ROCK2 O75116 2/20 0.50
PIM1 P11309 11/20 0.49
PIM2 Q9P1W9 11/20 0.49
PIM3 Q86V86 4/20 0.49
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 1/20 0.42
RPS6KB1 P23443 2/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
PRKACA P17612 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL12507100 0.90 PIM1 (0.48) CDK2CDC7CCNE1DBF4ROCK1
SCHEMBL8174211 0.85 ROCK1 (0.44) CDK2CDC7CCNE1DBF4ROCK1
SCHEMBL12506948 0.82 CDC7 (0.51) CDK2CDC7CCNE1DBF4ROCK1
SCHEMBL12507104 0.82 CDC7 (0.53) CDK2CDC7CCNE1DBF4ROCK1
SCHEMBL12506947 0.82 CDC7 (0.53) CDK2CDC7CCNE1DBF4ROCK1
SCHEMBL12506950 0.81 CDC7 (0.74) CDK2CDC7CCNE1DBF4ROCK1
SCHEMBL12506918 0.79 CDC7 (0.50) CDK2CDC7CCNE1DBF4ROCK1
SCHEMBL12507219 0.79 CDC7 (0.50) CDK2CDC7CCNE1DBF4ROCK1
SCHEMBL12507108 0.79 CDC7 (0.50) CDK2CDC7CCNE1DBF4ROCK1
SCHEMBL12506921 0.78 ROCK2 (0.41) CDK2CDC7CCNE1DBF4ROCK1

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 CDK2 445/4885CDC7 711/4885CCNE1 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.