SCHEMBL3973044

SCHEMBL3973044

O=C1CCCN1CCCNc1nc(-c2ccc(-c3ccccc3)cc2)nc2cc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.56
MAPT P10636 5/20 0.54
MAPK1 P28482 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ACP1 P24666 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GFER P55789 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TSHR P16473 2/20 0.48
TP53 P04637 2/20 0.48
ALOX15 P16050 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3974937 0.86 KDM4E (0.53) ADORA1MAPTMAPK1NPSR1ACP1
SCHEMBL3536132 0.83 FLT3 (0.50) ADORA1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL3536130 0.83 FLT3 (0.50) ADORA1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL7262661 0.82 PGK1 (0.61) ADORA1MAPTMAPK1NPSR1SMN1; SMN2
SCHEMBL3974887 0.80 MAPK1 (0.82) MAPTMAPK1NPSR1ACP1SMN1; SMN2
SCHEMBL3981553 0.78 MAPK1 (0.81) MAPTMAPK1NPSR1ACP1SMN1; SMN2
SCHEMBL3975873 0.77 ADORA1 (0.55) ADORA1MAPTMAPK1ACP1SMN1; SMN2
SCHEMBL3976448 0.77 GSK3A (0.76) MAPTMAPK1NPSR1ACP1SMN1; SMN2
SCHEMBL3981971 0.76 MAPK1 (0.63) MAPTMAPK1NPSR1ACP1SMN1; SMN2
SCHEMBL3980055 0.76 PGK1 (0.62) ADORA1MAPTSMN1; SMN2KDM4EPOLB

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 ADORA1 693/4885MAPT 4410/4885MAPK1 3502/4885

“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.