SCHEMBL3538009

SCHEMBL3538009

Clc1ccc2c(NCCCn3ccnc3)nc(C=Cc3ccccc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
SOD1 P00441 3/20 0.54
FLT3 P36888 9/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
QPCT Q16769 1/20 0.49

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
SCHEMBL3538008 1.00 ALDH1A1 (0.55) ALDH1A1GSK3AGSK3BSOD1FLT3
SCHEMBL3978895 0.83 GSK3A (0.79) ALDH1A1GSK3AGSK3BSOD1SMN1; SMN2
SCHEMBL3976448 0.82 GSK3A (0.76) ALDH1A1GSK3AGSK3BSOD1SMN1; SMN2
SCHEMBL3535873 0.79 FLT3 (0.74) ALDH1A1FLT3SMN1; SMN2
SCHEMBL3535877 0.79 FLT3 (0.74) ALDH1A1FLT3SMN1; SMN2
SCHEMBL3539702 0.79 FLT3 (0.79) FLT3
SCHEMBL3539704 0.79 FLT3 (0.79) FLT3
SCHEMBL3537821 0.78 ALDH1A1 (0.56) ALDH1A1GSK3AGSK3BSOD1FLT3
SCHEMBL3537819 0.78 ALDH1A1 (0.56) ALDH1A1GSK3AGSK3BSOD1FLT3
SCHEMBL3536132 0.77 FLT3 (0.50) ALDH1A1FLT3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US claimed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO claimed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US claimed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP claimed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO claimed
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-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
WO-2004030671-A2 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
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 (2 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 ALDH1A1 1661/4885GSK3A 3385/4885GSK3B 3593/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 ALDH1A1 1858/4885GSK3A 3430/4885GSK3B 3625/4885

“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.