SCHEMBL4065179

SCHEMBL4065179

COc1c(Br)cccc1-c1cnc(C=O)n1COCC[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.32
IGF1R P08069 1/20 0.32
SRC P12931 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
EPHB4 P54760 1/20 0.32
TEK Q02763 1/20 0.32
DGAT1 O75907 1/20 0.31
NPC1 O15118 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
SCHEMBL27596318 0.86 DGAT1 (0.32) EGFRIGF1RSRCFLT4KDR
SCHEMBL27596081 0.83 FYN (0.37) EGFRIGF1RSRCFLT4KDR
SCHEMBL4065251 0.78 TDP1 (0.40) FLT3DGAT1NPC1
SCHEMBL4065268 0.78 TDP1 (0.44) FLT3DGAT1
SCHEMBL4068100 0.78 FYN (0.40)
SCHEMBL4068252 0.75 EGFR (0.36) EGFRIGF1RSRCFLT4KDR
SCHEMBL25586533 0.75 DGAT1 (0.36) DGAT1NPC1
SCHEMBL4064489 0.72 ALDH1A1 (0.38) NPC1
SCHEMBL4064875 0.71 F11 (0.32) DGAT1NPC1
SCHEMBL9958624 0.70 NPC1 (0.33) DGAT1NPC1

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 EGFR 504/4885IGF1R 1541/4885SRC 1596/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 EGFR 630/4885IGF1R 1047/4885SRC 1348/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 EGFR 504/4885IGF1R 1541/4885SRC 1596/4885

“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.