SCHEMBL1933848

SCHEMBL1933848

CC(C)(C)OC(=O)Nc1cnc2c(cc(-c3ccc(C4(C)OCCO4)cc3)n2COCC[Si](C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPT P10636 1/20 0.34
CDK9 P50750 1/20 0.32
MTOR P42345 1/20 0.32
NAMPT P43490 1/20 0.32
DGAT1 O75907 2/20 0.31
TTK P33981 3/20 0.31
KLKB1 P03952 1/20 0.31
PARG Q86W56 1/20 0.31
TSHR P16473 1/20 0.31
FSHR P23945 1/20 0.31
CD274 Q9NZQ7 1/20 0.30
BCL2 P10415 1/20 0.30

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
SCHEMBL2316190 0.90 MAPT (0.36) MAPTDGAT1
SCHEMBL16264290 0.84 GSK3B (0.37) GSK3BDYRK1AMAPTMTORNAMPT
SCHEMBL2319155 0.82 GSK3B (0.36) GSK3BDYRK1AMAPTMTORDGAT1
SCHEMBL1934914 0.82 MAPT (0.31) MAPT
SCHEMBL2317271 0.81 MAPT (0.30) MAPT
SCHEMBL2318305 0.80 DGAT1 (0.35) MAPTDGAT1TSHR
SCHEMBL2317087 0.77 MAPT (0.34) MAPT
SCHEMBL2318536 0.77 MAPT (0.34) MAPT
SCHEMBL16245511 0.77 NPC1 (0.33) MAPT
SCHEMBL2319933 0.76 GSK3B (0.42) GSK3BDYRK1ADGAT1TTK

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 9 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-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-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
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 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 (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 GSK3B 1274/4885DYRK1A 4131/4885MAPT 3798/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 GSK3B 1274/4885DYRK1A 4131/4885MAPT 3798/4885

“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.