SCHEMBL12506936

SCHEMBL12506936

Clc1ccc(CNc2nnc(-c3cc(Cl)c4[nH]ncc4c3)o2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 7/20 0.47
▸ CCNE1 P24864 7/20 0.47
▸ CDK2 P24941 7/20 0.47
▸ DBF4 Q9UBU7 7/20 0.47
▸ SPHK2 Q9NRA0 1/20 0.36
▸ SPHK1 Q9NYA1 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.33
▸ ADORA2A P29274 2/20 0.32
▸ QPCT Q16769 2/20 0.32
▸ HPGD P15428 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ NOS1 P29475 1/20 0.32

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
SCHEMBL12507226 0.82 CDC7 (0.53) CDC7CCNE1CDK2DBF4SPHK2
SCHEMBL12507392 0.79 ADORA2A (0.35) CDC7CCNE1CDK2DBF4KDM4E
SCHEMBL12507127 0.77 CDC7 (0.52) CDC7CCNE1CDK2DBF4KDM4E
SCHEMBL12507118 0.71 CDK2 (0.69) CDC7CCNE1CDK2DBF4SPHK2
SCHEMBL12507126 0.69 ATR (0.38) CDC7CCNE1CDK2DBF4ADORA2A
SCHEMBL12507238 0.67 RPS6KB1 (0.42) CDC7CCNE1CDK2DBF4ADORA2A
SCHEMBL12506930 0.67 RPS6KB1 (0.42) CDC7CCNE1CDK2DBF4ADORA2A
SCHEMBL12507240 0.66 RPS6KB1 (0.44) KDM4EHPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL12506938 0.65 CDK2 (0.78) CDC7CCNE1CDK2DBF4SPHK2
SCHEMBL12506933 0.64 CDK2 (1.00) CDC7CCNE1CDK2DBF4QPCT

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.

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