SCHEMBL4064922

SCHEMBL4064922

COc1cccc(-c2cncn2COCC[Si](C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PGGT1B P53609 2/20 0.41
SRC P12931 2/20 0.40
EGLN2 Q96KS0 1/20 0.39
MAPT P10636 1/20 0.39
CYP17A1 P05093 1/20 0.38
TDO2 P48775 1/20 0.38
GSK3B P49841 1/20 0.38
QPCT Q16769 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
FYN P06241 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL2144217 0.85 CYP11B1 (0.40) BRD9CYP11B1CYP11B2MAPTTP53
SCHEMBL26693782 0.84 CYP11B1 (0.51) BRD9CYP11B1CYP11B2APP
SCHEMBL4062723 0.83 CYP11B1 (0.50) BRD9CYP11B1CYP11B2
SCHEMBL31403102 0.80 DGAT1 (0.41) CYP11B1CYP11B2FNTAFNTB
SCHEMBL22075678 0.79 CYP11B1 (0.43) CYP11B1CYP11B2MAPTGSK3BDYRK1A
SCHEMBL23718770 0.78 IDO1 (0.41) CYP11B1CYP11B2MAPTTP53APP
SCHEMBL203831 0.78 CYP11B1 (0.48) CYP11B1CYP11B2
SCHEMBL13070711 0.78 DGAT1 (0.38) CYP11B1CYP11B2MAPT
SCHEMBL4065353 0.77 CYP11B1 (0.37) CYP11B1CYP11B2MAPTTP53
SCHEMBL4068100 0.76 FYN (0.40) BRD9EGLN2MAPTDYRK1ACLK4

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
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (3 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 BRD9 906/4885CYP11B1 711/4885CYP11B2 688/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 BRD9 779/4885CYP11B1 1034/4885CYP11B2 1102/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 BRD9 906/4885CYP11B1 711/4885CYP11B2 688/4885

“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.