SCHEMBL2932816

SCHEMBL2932816

CCCN1Cc2cc(Oc3cccc(N)c3)ccc2N=C1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 2/20 0.44
BACE1 P56817 7/20 0.41
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
LIPE Q05469 1/20 0.34
REN P00797 1/20 0.33
CTSD P07339 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL2932672 0.90 BACE2 (0.41) BACE2BACE1PDE4APDE4BPDE4C
SCHEMBL2934468 0.87 BACE2 (0.39) BACE2BACE1PDE4APDE4BPDE4C
SCHEMBL2931880 0.83 MGLL (0.39) BACE2BACE1PRMT5WDR77
SCHEMBL2933361 0.82 BACE2 (0.36) BACE2BACE1PDE4APDE4BPDE4C
SCHEMBL2930482 0.82 BACE2 (0.35) BACE2BACE1PDE4APDE4BPDE4C
SCHEMBL5504341 0.78 BACE1 (0.43) BACE2BACE1PDE4APDE4BPDE4C
SCHEMBL5504058 0.75 BACE1 (0.40) BACE2BACE1PDE4APDE4BPDE4C
SCHEMBL2933230 0.72 BACE1 (0.54) BACE2BACE1RENCTSDKCNH2
SCHEMBL5502305 0.71 BACE1 (0.37) BACE2BACE1PDE4APDE4BPDE4C
SCHEMBL2925508 0.71 BACE1 (0.53) BACE2BACE1PDE4APDE4BPDE4C

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 20 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-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-8426429-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-04-23 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
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 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-1789398-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF B-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-09-29 EP disclosed
EP-1789398-A1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF B-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-30 EP disclosed
EP-1776349-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 EP disclosed
EP-1776350-A1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF ß-SECRETASE ( BACE ) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 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
WO-2006024932-A1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF B-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (US) 2006-03-09 WO disclosed
WO-2006017844-A1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO disclosed
WO-2006017844-A1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO disclosed
WO-2006017836-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO disclosed
WO-2006017836-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 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 (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 BACE2 1/4885BACE1 2/4885PDE4A 817/4885
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP BACE2 1/4885BACE1 2/4885PDE4A 817/4885
US-20060079686-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP BACE2 1/4885BACE1 2/4885PDE4A 817/4885

“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.