SCHEMBL2191369

SCHEMBL2191369

CCNc1nnc(-c2ccc3[nH]ncc3c2)o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.71
CDC7 O00311 4/20 0.71
CCNE1 P24864 3/20 0.71
DBF4 Q9UBU7 3/20 0.71
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
RAB9A P51151 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GSK3B P49841 10/20 0.53
PIM1 P11309 8/20 0.53
AURKB Q96GD4 6/20 0.53
ROCK2 O75116 6/20 0.53
JAK2 O60674 4/20 0.48
CDK5 Q00535 4/20 0.48
DYRK1A Q13627 3/20 0.48
GSK3A P49840 3/20 0.48
AURKA O14965 2/20 0.48
DAPK3 O43293 2/20 0.48

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
SCHEMBL12506933 0.83 CDK2 (1.00) CDK2CDC7CCNE1DBF4GSK3B
SCHEMBL12506938 0.79 CDK2 (0.78) CDK2CDC7CCNE1DBF4GSK3B
SCHEMBL12506949 0.79 CDC7 (0.74) CDK2CDC7CCNE1DBF4NPC1
SCHEMBL25185033 0.78 CDC7 (0.55) CDK2CDC7CCNE1DBF4GSK3B
SCHEMBL30409556 0.78 CDC7 (0.55) CDK2CDC7CCNE1DBF4GSK3B
SCHEMBL12506943 0.76 CDC7 (0.74) CDK2CDC7CCNE1DBF4GSK3B
SCHEMBL12507121 0.76 CDK2 (0.73) CDK2CDC7CCNE1DBF4KDM4E
SCHEMBL3490816 0.75 CDC7 (0.55) CDK2CDC7CCNE1DBF4KDM4E
SCHEMBL12507124 0.75 CDC7 (0.56) CDK2CDC7CCNE1DBF4KDM4E
SCHEMBL12257075 0.74 JAK2 (0.60) NPC1RAB9AGSK3BPIM1AURKB

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.