SCHEMBL3362216

SCHEMBL3362216

NC(=O)CN1Cc2cc(C(=O)c3ccccc3)ccc2N=C1N

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.58
PDE4A P27815 10/20 0.45
PDE4B Q07343 10/20 0.45
PDE4C Q08493 10/20 0.45
PDE4D Q08499 10/20 0.45
BACE2 Q9Y5Z0 1/20 0.39
PBRM1 Q86U86 1/20 0.38
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABL1 P00519 1/20 0.36
FABP6 P51161 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
SCHEMBL28769126 0.88 BACE1 (0.60) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL3362226 0.86 BACE1 (0.63) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL3367165 0.80 BACE1 (0.59) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL5350869 0.79 PDE4A (0.48) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL5535995 0.77 PDE4A (0.44) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL3367313 0.76 PDE4A (0.45) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL8267146 0.76 BACE1 (0.64) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL3397632 0.75 BACE1 (0.63) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL3363043 0.74 BACE1 (1.00) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL5532712 0.73 PDE4A (0.41) BACE1PDE4APDE4BPDE4CPDE4D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436006-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 US disclosed
US-8426429-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-04-23 US disclosed
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 US disclosed
EP-1776349-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-10-06 EP disclosed
US-20060178383-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-10 US disclosed
US-20060079686-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2006-04-13 US disclosed
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-13 US 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 (3 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-20060178383-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP BACE1 2/4885PDE4A 817/4885PDE4B 522/4885
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP BACE1 2/4885PDE4A 817/4885PDE4B 522/4885
US-20060079686-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP BACE1 2/4885PDE4A 817/4885PDE4B 522/4885

“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.