SCHEMBL2934450

SCHEMBL2934450

CCCN1Cc2cc(-c3ccccc3CCNS(=O)(=O)c3ccccc3)ccc2N=C1N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
BACE1 P56817 2/20 0.36
BACE2 Q9Y5Z0 1/20 0.35
HTR7 P34969 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PRMT1 Q99873 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
SLC2A1 P11166 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL2932806 0.71 BACE1 (0.49) BACE1BACE2ALDH1A1PKMHPGD
SCHEMBL2935413 0.71 PRMT1 (0.40) ALDH1A1PRMT1TDP1KDM4EPKM
SCHEMBL6000367 0.70 HTR6 (0.39) BACE1ALDH1A1PKMHPGDMEN1
SCHEMBL3367319 0.67 ADORA1 (0.41) ADORA1BACE1BACE2HTR7ALDH1A1
SCHEMBL5536001 0.65 BACE1 (0.38) ADORA2AADORA1BACE1BACE2TDP1
SCHEMBL8267586 0.65 BACE1 (0.52) BACE1BACE2
SCHEMBL29095262 0.65 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2ACA2
SCHEMBL26214431 0.62 CA12 (0.55) ALDH1A1KDM4EPKMHPGDMEN1
SCHEMBL2979508 0.61 ALDH1A1 (0.43) ALDH1A1PKMMEN1KMT2ACA1
SCHEMBL5998522 0.60 BACE1 (0.58) BACE1BACE2

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 15 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
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-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 ADORA2A 2407/4885ADORA2B 1841/4885ADORA1 1452/4885
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP ADORA2A 2407/4885ADORA2B 1841/4885ADORA1 1452/4885
US-20060079686-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP ADORA2A 2407/4885ADORA2B 1841/4885ADORA1 1452/4885

“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.