SCHEMBL6794932

SCHEMBL6794932

CC(C)(C)OC(=O)NCC#Cc1ccc(C#CCNC(=O)OC(C)(C)C)nc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.58
DDB1 Q16531 2/20 0.43
CRBN Q96SW2 2/20 0.43
ADRA2A P08913 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
P2RY6 Q15077 1/20 0.43
ACACB O00763 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
BCHE P06276 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 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
SCHEMBL30463945 0.95 PTPN11 (0.54) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL25727131 0.95 PTPN11 (0.54) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL25727149 0.95 PTPN11 (0.54) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL30463958 0.95 PTPN11 (0.54) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL6788341 0.88 PTPN11 (0.50) PTPN11DDB1CRBNL3MBTL1
SCHEMBL23789542 0.87 PTPN11 (0.58) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL31070817 0.86 PTPN11 (0.57) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL30433066 0.86 PTPN11 (0.57) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL6789803 0.86 PTPN11 (0.48) PTPN11DDB1CRBNADRA2ADRD5
SCHEMBL31017536 0.86 PTPN11 (0.48) PTPN11DDB1CRBNADRA2ADRD5

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
US-6706885-B2 HYDROGENATION OF PROTECTED 2,5-DI-(3'-AMINOPROP-1-YNYL) PYRIDINES AND DEPROTECTING TO FORM 2,5-DI-(3'-AMINOPROPYL)-PYRIDINES MERCK & CO., INC. 2004-03-16 US disclosed
US-20030004353-A1 Process for preparing integrin antagonist intermediates MERCK SHARP & DOHME CORP. 2003-01-02 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-20030004353-A1 Process for preparing integrin antagonist intermediates ITGA5, ITGAV, ITGA2 PTPN11 3250/4885DDB1 4703/4885CRBN 1606/4885

“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.