SCHEMBL3975879

SCHEMBL3975879

Cc1ccc2nc(-c3ccc(Br)cc3)nc(NCCc3ccccn3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.56
PDE5A O76074 6/20 0.50
CYP3A4 P08684 1/20 0.48
PTGFR P43088 1/20 0.48
RAD52 P43351 2/20 0.47
POLB P06746 1/20 0.47
SMARCA2 P51531 1/20 0.47
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
ACP1 P24666 1/20 0.44
TLR9 Q9NR96 1/20 0.44
PGK1 P00558 1/20 0.43
SLC6A3 Q01959 1/20 0.43
JAK2 O60674 1/20 0.43
METAP1 P53582 1/20 0.43
PPP1CA P62136 1/20 0.43
KMT2A Q03164 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
SCHEMBL3979250 0.88 GBA1 (0.56) GBA1PDE5ACYP3A4PTGFRPOLB
SCHEMBL3980668 0.84 PGK1 (0.60) GBA1PDE5AHIF1AKDM4EMAPK1
SCHEMBL7261575 0.82 PGK1 (0.60) GBA1PDE5ARAD52POLBSMARCA2
SCHEMBL1064493 0.80 GBA1 (0.82) GBA1PDE5AHIF1AKDM4EMAPK1
SCHEMBL3981851 0.79 PDE5A (0.70) GBA1PDE5ACYP3A4HIF1AKDM4E
SCHEMBL3975234 0.79 ACP1 (0.60) GBA1PDE5ARAD52POLBSMARCA2
SCHEMBL3973275 0.78 RAD52 (0.69) PDE5ARAD52POLBSMARCA2MAPK1
SCHEMBL22201478 0.77 GBA1 (0.77) GBA1PDE5APOLBKDM4EMAPK1
SCHEMBL4237965 0.76 GBA1 (0.62) GBA1PDE5APOLBHIF1AKDM4E
SCHEMBL16183659 0.76 GBA1 (0.77) GBA1PDE5ACYP3A4MAPK1KMT2A

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 2783/4885CYP3A4 1543/4885

“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.