SCHEMBL534316

SCHEMBL534316

FC(F)(F)Oc1[c]ccc(-c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.37
IGF2BP2 Q9Y6M1 1/20 0.35
KIF11 P52732 1/20 0.35
PTPN5 P54829 1/20 0.34
CHRM5 P08912 3/20 0.34
SERPINE1 P05121 3/20 0.33
ACMSD Q8TDX5 2/20 0.33
DHFR P00374 1/20 0.33
HNF4A P41235 1/20 0.33
MCL1 Q07820 1/20 0.33
METAP2 P50579 1/20 0.33
SCN9A Q15858 1/20 0.33
DHODH Q02127 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SCN5A Q14524 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL6259563 0.83 KIF11 (0.41) KIF11PDK2
SCHEMBL1320999 0.83 KIF11 (0.41) KIF11
SCHEMBL15825058 0.83 ALOX5 (0.35) CHRM5SERPINE1DHODHALDH1A1SCN5A
SCHEMBL1064348 0.81 KIF11 (0.40) PTPN1IGF2BP2KIF11PTPN5CHRM5
SCHEMBL15636662 0.79 AR (0.40) CHRM5SCN9ADHODHPDK2
SCHEMBL27833661 0.79 AR (0.43) SCN9AALDH1A1
SCHEMBL21052815 0.79 TAAR1 (0.42)
SCHEMBL15637648 0.78 SCN10A (0.33) SCN9ADHODH
SCHEMBL357701 0.76 CYP11B1 (0.40) ALDH1A1
SCHEMBL28008901 0.75 NFE2L2 (0.41) PTPN1HNF4APDK2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
WO-2011006886-A2 AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV BASF SE (DE) 2011-01-20 WO disclosed
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
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
EP-1144381-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
EP-1133475-A1 SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-09-19 EP disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 WO disclosed
WO-2000031039-A1 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-02 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 PTPN1 926/4885IGF2BP2 2813/4885KIF11 4124/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 PTPN1 2325/4885IGF2BP2 3037/4885KIF11 4255/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 PTPN1 952/4885IGF2BP2 2875/4885KIF11 4321/4885

“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.