SCHEMBL6788341

SCHEMBL6788341

CC(C)(C)OC(=O)NCC#Cc1ccc(C#CCNC(=O)OCc2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.50
SYK P43405 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.43
NTSR1 P30989 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
IDO1 P14902 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CTSS P25774 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL6790694 0.93 L3MBTL1 (0.46) MAPTL3MBTL1POLBSMN1; SMN2LMNA
SCHEMBL6794932 0.88 PTPN11 (0.58) PTPN11L3MBTL1DDB1CRBN
SCHEMBL24896959 0.85 SYK (0.47) PTPN11SYKMEN1KMT2AMAPT
SCHEMBL25727131 0.84 PTPN11 (0.54) PTPN11L3MBTL1DDB1CRBN
SCHEMBL30463945 0.84 PTPN11 (0.54) PTPN11L3MBTL1DDB1CRBN
SCHEMBL25727149 0.84 PTPN11 (0.54) PTPN11L3MBTL1DDB1CRBN
SCHEMBL30463958 0.84 PTPN11 (0.54) PTPN11L3MBTL1DDB1CRBN
SCHEMBL16808344 0.79 PTPN11 (0.52) PTPN11SYKMAPTL3MBTL1POLB
SCHEMBL23789542 0.77 PTPN11 (0.58) PTPN11KMT2AL3MBTL1DDB1CRBN
SCHEMBL21881992 0.76 PTPN11 (0.71) PTPN11SYKIDO1DDB1CRBN

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 3250/4885SYK 894/4885MEN1 4626/4885

“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.