SCHEMBL3539249

SCHEMBL3539249

FC(F)(F)c1cccc(-c2c[c]ccc2)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
CNR2 P34972 1/20 0.35
SCN9A Q15858 2/20 0.33
AR P10275 1/20 0.33
CES1 P23141 1/20 0.33
PDK2 Q15119 1/20 0.31

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
SCHEMBL694160 0.84 AR (0.46) HSD11B1SCN9AAR
SCHEMBL3534868 0.81 HSD11B1 (0.44) HSD11B1CNR2SCN9AARCES1
SCHEMBL5539576 0.81
SCHEMBL3532604 0.79 FABP4 (0.36) SCN9AARPDK2
SCHEMBL2597833 0.78 HSD11B1 (0.51) HSD11B1CNR2SCN9AARCES1
SCHEMBL6067687 0.75 HSD11B1 (0.55) HSD11B1CNR2SCN9AARCES1
SCHEMBL28223418 0.75 HSD11B1 (0.49) HSD11B1CNR2SCN9AARPDK2
SCHEMBL4004584 0.74 HSD11B1 (0.42) HSD11B1CNR2SCN9ACES1
SCHEMBL3996107 0.74 HSD11B1 (0.42) HSD11B1CNR2SCN9ACES1
SCHEMBL2753707 0.72 HSD11B1 (0.40) HSD11B1CNR2SCN9ACES1PDK2

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-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 US disclosed
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 HSD11B1 4738/4885CNR2 258/4885SCN9A 671/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 HSD11B1 1786/4885CNR2 1088/4885SCN9A 404/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 HSD11B1 4810/4885CNR2 438/4885SCN9A 739/4885

“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.