SCHEMBL3363569

SCHEMBL3363569

NC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.73
REN P00797 1/20 0.67
CTSD P07339 1/20 0.67
KCNH2 Q12809 1/20 0.67
BACE2 Q9Y5Z0 4/20 0.60

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
SCHEMBL3367131 1.00 BACE1 (0.73) BACE1RENCTSDKCNH2BACE2
SCHEMBL8267616 0.88 BACE1 (0.73) BACE1RENCTSDKCNH2BACE2
SCHEMBL12255089 0.87 BACE1 (0.85) BACE1RENCTSDKCNH2BACE2
SCHEMBL12255082 0.84 BACE1 (0.68) BACE1RENCTSDKCNH2BACE2
SCHEMBL12255086 0.84 BACE1 (0.76) BACE1RENCTSDKCNH2BACE2
SCHEMBL8265810 0.84 BACE1 (0.70) BACE1RENCTSDKCNH2BACE2
SCHEMBL12255093 0.84 BACE1 (0.80) BACE1RENCTSDKCNH2BACE2
SCHEMBL8268204 0.84 BACE1 (0.70) BACE1RENCTSDKCNH2BACE2
SCHEMBL12255138 0.83 BACE1 (0.76) BACE1RENCTSDKCNH2BACE2
SCHEMBL12255094 0.83 BACE1 (1.00) BACE1RENCTSDKCNH2BACE2

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 2/4885REN 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.