SCHEMBL3532604

SCHEMBL3532604

FC(F)(F)c1cccc(C(F)(F)F)c1-c1c[c]ccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.36
PDK2 Q15119 1/20 0.34
SCN9A Q15858 3/20 0.33
AR P10275 4/20 0.32
TRPA1 O75762 1/20 0.31
ESR1 P03372 1/20 0.31
AXL P30530 1/20 0.30
KIF11 P52732 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL27854069 0.81 CA2 (0.39) KIF11
SCHEMBL694160 0.79 AR (0.46) SCN9AARTRPA1
SCHEMBL3539249 0.79 HSD11B1 (0.41) PDK2SCN9AAR
SCHEMBL3538482 0.78 FABP4 (0.38) FABP4PDK2SCN9AARTRPA1
SCHEMBL5543801 0.75 AR (0.35) PDK2AR
SCHEMBL2597832 0.74 FABP4 (0.53) FABP4PDK2SCN9AESR1KIF11
SCHEMBL3537559 0.74 NOTUM (0.42) ARKIF11
SCHEMBL2753210 0.74 TTR (0.38)
SCHEMBL695464 0.72 IDO1 (0.46) KIF11HTR2C
SCHEMBL1510123 0.71 ALDH1A1 (0.37) ESR1

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 7 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
WO-2002024666-A2 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 FABP4 2095/4885PDK2 3921/4885SCN9A 671/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 FABP4 1346/4885PDK2 3787/4885SCN9A 404/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 FABP4 2630/4885PDK2 3580/4885SCN9A 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.