SCHEMBL16264287

SCHEMBL16264287

COc1ccc2c(c1)c(-c1cc3nc(NC(=O)OC(C)(C)C)cnc3n1COCC[Si](C)(C)C)nn2C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
BRD4 O60885 8/20 0.36
DYRK1A Q13627 2/20 0.35
DGAT1 O75907 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
KLKB1 P03952 1/20 0.33
PDE2A O00408 1/20 0.32
PTGS2 P35354 1/20 0.32
GSK3B P49841 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL1933955 0.87 MTNR1A (0.38) BRD4DYRK1ADGAT1KLKB1GSK3B
SCHEMBL16261058 0.82 AURKA (0.38) NAMPTDGAT1GSK3BNPC1MAPT
SCHEMBL1536772 0.80 MTNR1A (0.39) BRD4DYRK1ADGAT1KLKB1GSK3B
SCHEMBL2321156 0.77 LCK (0.38) GSK3B
SCHEMBL1933848 0.75 GSK3B (0.38) NAMPTDYRK1ADGAT1KLKB1GSK3B
SCHEMBL4354849 0.73 MTNR1A (0.39) DGAT1GSK3B
SCHEMBL1536998 0.72 LCK (0.40) GSK3B
SCHEMBL2359998 0.71 DGAT1 (0.39) NAMPTBRD4DYRK1ADGAT1KLKB1
SCHEMBL2319933 0.70 GSK3B (0.42) DYRK1ADGAT1GSK3B
SCHEMBL1536841 0.69 MTNR1A (0.42) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 NAMPT 2833/4885BRD4 1047/4885DYRK1A 4131/4885

“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.