SCHEMBL3974486

SCHEMBL3974486

Clc1ccc2nc(-c3ccc(Br)cc3)nc(NCCCN3CCOCC3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
MAPK1 P28482 4/20 0.74
NPSR1 Q6W5P4 1/20 0.74
SMN1; SMN2 Q16637 2/20 0.67
TSHR P16473 4/20 0.65
ALOX15 P16050 3/20 0.65
TP53 P04637 2/20 0.65
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
FLT3 P36888 3/20 0.63
ACP1 P24666 3/20 0.59
LMNA P02545 3/20 0.59
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HTT P42858 2/20 0.57
POLB P06746 1/20 0.57
USP2 O75604 3/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52

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
SCHEMBL3980578 0.89 MAPK1 (0.58) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL3976459 0.88 MAPT (0.67) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL3972057 0.87 MAPK1 (0.71) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL3974887 0.85 MAPK1 (0.82) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL3981553 0.85 MAPK1 (0.81) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL3974916 0.83 KDM4E (0.77) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL3974937 0.80 KDM4E (0.53) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL3974635 0.80 ACP1 (0.58) MAPTMAPK1NPSR1SMN1; SMN2TP53
SCHEMBL3975320 0.79 SLC2A1 (0.49) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL11794753 0.79 MAPT (0.52) MAPTMAPK1NPSR1SMN1; SMN2TSHR

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 MAPT 4410/4885MAPK1 3502/4885NPSR1 135/4885

“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.