SCHEMBL3974657

SCHEMBL3974657

COc1cc2nc(-c3ccc(Br)cc3)nc(CCCCN)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.50
WHR1 P49842 1/20 0.44
KMT5A Q9NQR1 1/20 0.39
KDM4E B2RXH2 2/20 0.39
STAT6 P42226 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SYK P43405 1/20 0.38
EGFR P00533 2/20 0.38
KDM1A O60341 1/20 0.37
KDR P35968 1/20 0.37
NTSR1 P30989 1/20 0.36
ENPP1 P22413 1/20 0.36
PDPK1 O15530 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36

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
SCHEMBL3975236 0.81 CYP1B1 (0.39) SYKKDRALDH1A1
SCHEMBL3974636 0.79 ADORA3 (0.47) NPSR1HTT
SCHEMBL3976324 0.75 SLC2A1 (0.56) SLC2A1WHR1KDM4ESTAT6NPSR1
SCHEMBL4238649 0.74 WHR1 (0.50) SLC2A1WHR1KDM4ESTAT6NPSR1
SCHEMBL3975863 0.73 KDM1A (0.49) SLC2A1WHR1KMT5AKDM4ESTAT6
SCHEMBL3972107 0.73 LATS1 (0.50) SLC2A1WHR1KDM4ESTAT6NPSR1
SCHEMBL3974654 0.72 ACP1 (0.54) SLC2A1WHR1KMT5AKDM4ESYK
SCHEMBL3972104 0.72 SLC2A1 (0.47) SLC2A1WHR1KDM4ESTAT6NPSR1
SCHEMBL4238650 0.70 PDE5A (0.58) SLC2A1WHR1KDM4ESTAT6NPSR1
SCHEMBL23762476 0.70 ENPP1 (0.66) EGFRENPP1

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 SLC2A1 1107/4885WHR1 4569/4885KMT5A 4858/4885

“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.