SCHEMBL3979250

SCHEMBL3979250

Clc1ccc2nc(-c3ccc(Br)cc3)nc(NCCc3ccccn3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.56
PDE5A O76074 6/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HIF1A Q16665 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC2A1 P11166 1/20 0.44
PKM P14618 1/20 0.43
CYP3A4 P08684 1/20 0.43
PTGFR P43088 1/20 0.43
JAK2 O60674 1/20 0.43
METAP1 P53582 1/20 0.43
PPP1CA P62136 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3975879 0.88 GBA1 (0.56) GBA1PDE5AKMT2AHIF1APOLB
SCHEMBL4237965 0.86 GBA1 (0.62) GBA1PDE5AKMT2AMEN1HIF1A
SCHEMBL3980668 0.82 PGK1 (0.60) GBA1PDE5AKMT2AMEN1HIF1A
SCHEMBL1064493 0.80 GBA1 (0.82) GBA1PDE5AKMT2AMEN1HIF1A
SCHEMBL3977603 0.79 PDE5A (0.70) GBA1PDE5AKMT2AMEN1HIF1A
SCHEMBL3974635 0.78 ACP1 (0.58) GBA1PDE5AKMT2AMEN1POLB
SCHEMBL3971156 0.77 POLB (0.60) POLBMAPK1SLC2A1L3MBTL1ALDH1A1
SCHEMBL22201478 0.77 GBA1 (0.77) GBA1PDE5AKMT2AMEN1POLB
SCHEMBL16183659 0.76 GBA1 (0.77) GBA1PDE5AKMT2AMEN1HPGD
SCHEMBL3980413 0.75 SLC2A1 (0.62) KMT2AMEN1POLBKDM4ESLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 GBA1 52/4885PDE5A 2783/4885KMT2A 4812/4885

“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.