SCHEMBL1961463

SCHEMBL1961463

CCc1c(-c2nnc(N[C@H](C)c3cccc(OC)c3)o2)ccc(O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PIK3CB P42338 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ROCK1 Q13464 3/20 0.38
▸ ROCK2 O75116 3/20 0.38
▸ PFKFB3 Q16875 6/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ CDC7 O00311 2/20 0.37
▸ CCNE1 P24864 2/20 0.37
▸ DBF4 Q9UBU7 2/20 0.37
▸ CASR P41180 2/20 0.36
▸ RPS6KA5 O75582 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL1962537 0.81 PIK3CB (0.47) MAPTPIK3CBKDM4ECDK2CDC7
SCHEMBL12507117 0.75 RPS6KB1 (0.41) MAPTSMN1; SMN2ROCK1ROCK2CDK2
SCHEMBL12507123 0.70 ROCK2 (0.42) MAPTSMN1; SMN2ROCK1ROCK2PFKFB3
SCHEMBL12506921 0.70 ROCK2 (0.41) MAPTSMN1; SMN2ROCK1ROCK2PFKFB3
SCHEMBL1551968 0.69 CDC7 (0.52) CDK2CDC7CCNE1DBF4GSK3B
SCHEMBL2189165 0.67 SMN1; SMN2 (0.46) MAPTSMN1; SMN2KDM4EROCK1ROCK2
SCHEMBL12506948 0.67 CDC7 (0.51) MAPTSMN1; SMN2ROCK1ROCK2CDK2
SCHEMBL2188384 0.66 CDK2 (0.52) MAPTSMN1; SMN2KDM4EROCK1ROCK2
SCHEMBL1551977 0.66 KDM4E (0.41) MAPTSMN1; SMN2KDM4EGSK3BMEN1
SCHEMBL12507100 0.65 PIM1 (0.48) MAPTSMN1; SMN2KDM4EROCK1ROCK2

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-2313380-B1 OXADIAZOLE DERIVATIVES FOR TREATING DIABETES MERCK PATENT GMBH (DE) 2013-12-11 — — EP claimed
US-8377975-B2 Oxadiazole derivatives for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-19 — — US claimed
US-20110139654-A1 OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2011-06-16 — — US claimed
US-8377975-B2 Oxadiazole derivatives for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-19 — — US disclosed
US-8377975-B2 Oxadiazole derivatives for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-19 — — US disclosed
US-20110139654-A1 OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2011-06-16 — — US disclosed
US-20110139654-A1 OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2011-06-16 — — US disclosed
WO-2010020305-A1 OXADIAZOLE DERIVATIVES FOR TREATING DIABETES MERCK PATENT GMBH (DE) 2010-02-25 — — 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-20110139654-A1 OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES PFKL, RXFP3, OXA1L MAPT 4325/4885SMN1; SMN2 4479/4885PIK3CB 1367/4885

“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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