SCHEMBL3972080

SCHEMBL3972080

Nc1ccc(CCNc2nc(-c3ccc(-c4ccccc4)cc3)nc3cc(Cl)ccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.61
PDE5A O76074 5/20 0.60
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
SLC6A3 Q01959 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 4/20 0.50
HMOX1 P09601 1/20 0.49
POLB P06746 1/20 0.48
PDE10A Q9Y233 1/20 0.47
TLR9 Q9NR96 1/20 0.47

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
SCHEMBL4868103 0.83 PDE5A (0.82) GBA1PDE5AKDM4EMAPK1SLC6A3
SCHEMBL4237965 0.81 GBA1 (0.62) GBA1PDE5AKDM4EMAPK1MEN1
SCHEMBL4868215 0.81 PDE5A (0.82) GBA1PDE5AKDM4EMAPK1SLC6A3
SCHEMBL3536885 0.80 PDE5A (0.49) PDE5ACYP3A4
SCHEMBL3536886 0.80 PDE5A (0.49) PDE5ACYP3A4
SCHEMBL28805458 0.78 PDE5A (0.76) GBA1PDE5AMAPK1MEN1KMT2A
SCHEMBL4867641 0.78 PDE5A (0.78) GBA1PDE5AKDM4EMAPK1SLC6A3
SCHEMBL6671471 0.77 SLC2A1 (0.70) PDE5AKDM4EMAPK1MEN1KMT2A
SCHEMBL1085431 0.76 PDE5A (1.00) GBA1PDE5AKDM4EMAPK1SLC6A3
SCHEMBL18354082 0.76 GBA1 (1.00) GBA1PDE5AKDM4EMAPK1MEN1

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 2783/4885KDM4E 4808/4885

“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.