SCHEMBL2189165

SCHEMBL2189165

COc1cccc([C@@H](C)Nc2nnc(-c3ccc(F)c(C#N)c3)o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 7/20 0.44
▸ ADCY1 Q08828 3/20 0.44
▸ HPGD P15428 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PFKFB3 Q16875 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPY1R P25929 1/20 0.40

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
SCHEMBL12506948 0.76 CDC7 (0.51) SMN1; SMN2MAPTNPC1RAB9APIM1
SCHEMBL2188384 0.75 CDK2 (0.52) SMN1; SMN2MAPTKDM4EADCY1KMT2A
SCHEMBL12507100 0.74 PIM1 (0.48) SMN1; SMN2MAPTKDM4EADCY1HPGD
SCHEMBL2189787 0.74 KDM4E (0.51) SMN1; SMN2MAPTKDM4EADCY1KMT2A
SCHEMBL111126 0.72 PGR (0.63) KDM4EHPGDALDH1A1TP53GAA
SCHEMBL18584869 0.71 CASR (0.43) PFKFB3PLK1MAPK1ROCK2ROCK1
SCHEMBL18609246 0.70 CASR (0.40) MAPTPFKFB3PLK1MAPK1ROCK2
SCHEMBL12507123 0.70 ROCK2 (0.42) SMN1; SMN2MAPTPFKFB3PIM1PIM3
SCHEMBL12507240 0.70 RPS6KB1 (0.44) SMN1; SMN2MAPTKDM4EHPGDKMT2A
SCHEMBL1961463 0.67 MAPT (0.40) SMN1; SMN2MAPTKDM4EKMT2AMEN1

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 SMN1; SMN2 4581/4885MAPT 4540/4885KDM4E 1911/4885

“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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