SCHEMBL572974

SCHEMBL572974

C[Si](C)(C)OC(C1CCN(C(=O)O)CC1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP7 Q9UHL4 2/20 0.33
CNR2 P34972 1/20 0.32
MGLL Q99685 3/20 0.32
RBP4 P02753 1/20 0.31
PLA2G7 Q13093 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL572179 0.83 DPP4 (0.47) DPP4
SCHEMBL21384633 0.76
SCHEMBL2421406 0.72 CYP3A4 (0.40)
SCHEMBL2422906 0.71 ALDH1A1 (0.39) MGLL
SCHEMBL2422722 0.71 GAA (0.36) DPP4RBP4
SCHEMBL23826304 0.70 DPP4 (0.38) DPP4DPP8DPP7CPN1CPB2
SCHEMBL23827044 0.70 DPP4 (0.38) DPP4DPP8DPP7CPN1CPB2
SCHEMBL23826307 0.70 DPP4 (0.38) DPP4DPP8DPP7CPN1CPB2
SCHEMBL12283913 0.70 SLC9A1 (0.39) DPP4DPP7MGLLPLA2G7ABHD6
SCHEMBL15579780 0.69 DPP4 (0.36) DPP4DPP7MGLLPLA2G7ABHD6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 EP disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 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 (2 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 DPP4 3224/4885DPP8 2918/4885DPP7 3104/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 DPP4 3224/4885DPP8 2918/4885DPP7 3104/4885

“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.