SCHEMBL2932273

SCHEMBL2932273

CCCN1Cc2cc(Oc3cccc(C(NC#N)C4CCCCC4)c3)ccc2N=C1N

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.45
REN P00797 1/20 0.42
CTSD P07339 1/20 0.42
KCNH2 Q12809 1/20 0.42
BACE2 Q9Y5Z0 2/20 0.40
PDE4A P27815 6/20 0.38
PDE4B Q07343 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38

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
SCHEMBL2931165 0.77 BACE1 (0.46) BACE1RENCTSDKCNH2BACE2
SCHEMBL2932275 0.76 BACE1 (0.46) BACE1RENCTSDKCNH2BACE2
SCHEMBL2969385 0.76 BACE1 (0.47) BACE1RENCTSDKCNH2BACE2
SCHEMBL2969383 0.76 BACE1 (0.57) BACE1RENCTSDKCNH2PDE4A
SCHEMBL8271849 0.75 BACE1 (0.52) BACE1RENCTSDKCNH2BACE2
SCHEMBL8273077 0.73 BACE1 (0.50) BACE1RENCTSDKCNH2BACE2
SCHEMBL2933230 0.73 BACE1 (0.54) BACE1RENCTSDKCNH2BACE2
SCHEMBL2925508 0.72 BACE1 (0.53) BACE1RENCTSDKCNH2BACE2
SCHEMBL3361625 0.71 BACE1 (0.57) BACE1RENCTSDKCNH2BACE2
SCHEMBL2932806 0.69 BACE1 (0.49) BACE1BACE2PDE4APDE4BPDE4C

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-1789398-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF B-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-09-29 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 2/4885REN 2814/4885CTSD 48/4885
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP BACE1 2/4885REN 2814/4885CTSD 48/4885
US-20060079686-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP BACE1 2/4885REN 2814/4885CTSD 48/4885

“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.