SCHEMBL3540772

SCHEMBL3540772

Fc1c(Cl)cccc1-c1cc[c]cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.40
KMO O15229 2/20 0.36
NMUR2 Q9GZQ4 1/20 0.36
GRIN2B Q13224 8/20 0.33
GRIN1 Q05586 2/20 0.33
CTSA P10619 1/20 0.33
ACLY P53396 1/20 0.33
MAPK10 P53779 1/20 0.32
MAPK14 Q16539 1/20 0.32
CYP1A2 P05177 1/20 0.31
IDO1 P14902 1/20 0.31
KAT2B Q92831 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
SCHEMBL7813076 0.81 CYP2A6 (0.62) CYP2A6KMONMUR2ACLYMAPK14
SCHEMBL29546270 0.81 CYP2A6 (0.62) CYP2A6KMONMUR2ACLYMAPK14
SCHEMBL3537077 0.79 CYP2A6 (0.36) CYP2A6KMONMUR2GRIN2BGRIN1
SCHEMBL534039 0.79 WDR5 (0.39) GRIN2BGRIN1
SCHEMBL533595 0.79 CNR2 (0.46) CYP2A6IDO1
SCHEMBL533206 0.79 CYP2A6 (0.65) CYP2A6IDO1
SCHEMBL15637579 0.78 KMO (0.36) CYP2A6KMONMUR2GRIN2BGRIN1
SCHEMBL21461881 0.78 CYP2A6 (0.58) CYP2A6KMONMUR2ACLYMAPK14
Methane SCHEMBL27731623 0.78 CYP2A6 (0.58) CYP2A6KMONMUR2ACLYMAPK14
SCHEMBL10091231 0.76 CYP2A6 (0.40) CYP2A6KMONMUR2CTSA

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 12 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
CN-101080404-A Pyrimidinyl iso- * azole derivatives ASKA PHARM CO LTD (JP) 2007-11-28 CN 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-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-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

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 CYP2A6 2973/4885KMO 3106/4885NMUR2 235/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 CYP2A6 2576/4885KMO 4637/4885NMUR2 1672/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 CYP2A6 3229/4885KMO 3482/4885NMUR2 399/4885

“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.