SCHEMBL2359998

SCHEMBL2359998

CC(C)(C)OC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.39
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
MAPKAPK2 P49137 4/20 0.33
PCSK9 Q8NBP7 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CDK9 P50750 1/20 0.33
MAPT P10636 1/20 0.33
KLKB1 P03952 1/20 0.33
NAMPT P43490 1/20 0.33
HDAC1 Q13547 1/20 0.33
CYP17A1 P05093 1/20 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
SCHEMBL12245476 0.86 KDM4E (0.43) DGAT1BRD4CREBBPMAPT
SCHEMBL2377204 0.81 DGAT1 (0.38) DGAT1BRD4CREBBPMAPT
SCHEMBL2376834 0.81 CA12 (0.44) MAPT
SCHEMBL2378940 0.81 KDM4E (0.43) BRD4NAMPT
SCHEMBL31280727 0.80 ALDH1A1 (0.41) MAPT
SCHEMBL21678743 0.80 ALDH1A1 (0.41) MAPT
SCHEMBL2377173 0.80 USP30 (0.43)
SCHEMBL2376948 0.80 USP30 (0.43)
SCHEMBL2376943 0.80 USP30 (0.43)
SCHEMBL2376507 0.80 KEAP1 (0.39) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 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 (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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 DGAT1 2419/4885GSK3B 1274/4885DYRK1A 4131/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 DGAT1 2419/4885GSK3B 1274/4885DYRK1A 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.