SCHEMBL2191201

SCHEMBL2191201

COc1cccc(NC(=O)CNc2nnc(-c3ccc4[nH]ncc4c3)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ CDC7 O00311 1/20 0.53
▸ CCNE1 P24864 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ DBF4 Q9UBU7 1/20 0.53
▸ TP53 P04637 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ ROCK2 O75116 4/20 0.47
▸ ROCK1 Q13464 3/20 0.47
▸ ADCY1 Q08828 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HAVCR2 Q8TDQ0 1/20 0.45
▸ POLB P06746 2/20 0.45

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
SCHEMBL2190075 0.84 CDC7 (0.55) RAB9ANPC1CDC7CCNE1CDK2
SCHEMBL12507358 0.84 KDM4E (0.49) RAB9ANPC1CDC7CCNE1CDK2
SCHEMBL12507229 0.81 TP53 (0.47) RAB9ANPC1CDC7CCNE1CDK2
SCHEMBL12506949 0.81 CDC7 (0.74) RAB9ANPC1CDC7CCNE1CDK2
SCHEMBL13463231 0.80 KDM4E (0.52) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL2189787 0.78 KDM4E (0.51) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL12506948 0.75 CDC7 (0.51) RAB9ANPC1CDC7CCNE1CDK2
SCHEMBL2191369 0.74 CDK2 (0.71) RAB9ANPC1CDC7CCNE1CDK2
SCHEMBL29099845 0.74 NPC1 (0.68) RAB9ANPC1MEN1KMT2AROCK2
SCHEMBL15764673 0.72 NPC1 (1.00) RAB9ANPC1MEN1KMT2AROCK2

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 2 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

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 RAB9A 4441/4885NPC1 2386/4885CDC7 711/4885

“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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