SCHEMBL573347

SCHEMBL573347

NC1CCC2(CC1)NC(=O)NC2=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 7/20 0.38
DDB1 Q16531 1/20 0.33
PDE7A Q13946 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33

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
Hydrochloric Acid SCHEMBL18438751 0.98 CRBN (0.37) CRBNDDB1PDE7ATDP1GAA
SCHEMBL8775591 0.79
SCHEMBL14609564 0.79 PDE7A (0.50) CRBNPDE7ATDP1
SCHEMBL7884532 0.79 PDE7A (0.50) CRBNPDE7ATDP1
SCHEMBL8256251 0.79 CRBN (0.36) CRBNDDB1PDE7ATDP1GAA
SCHEMBL14117697 0.76 GAA (0.37) CRBNDDB1PDE7ATDP1GAA
SCHEMBL542497 0.75 PDE7A (0.47) CRBNPDE7A
SCHEMBL630549 0.75 CRBN (0.43) CRBNDDB1PDE7A
SCHEMBL15014726 0.75 PYGM (0.39) CRBNDDB1TDP1GAAHPGD
SCHEMBL3540442 0.75 BACE1 (0.44) CRBNPDE7ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. ISRAELI COMPANY, OF (IL) 2018-08-02 US disclosed
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 (3 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 CRBN 877/4885DDB1 884/4885PDE7A 2822/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 CRBN 877/4885DDB1 884/4885PDE7A 2822/4885
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF IRAK1, IRAK2, IRAK3 CRBN 777/4885DDB1 1190/4885PDE7A 1254/4885

“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.