SCHEMBL6000394

SCHEMBL6000394

CN(C(=O)c1cccc(CN)c1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HSD11B1 P28845 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
BACE1 P56817 1/20 0.50
ACACB O00763 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
HSD11B2 P80365 1/20 0.47
CNR2 P34972 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL13534476 0.88 SMN1; SMN2 (0.54) HPGDTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL7040051 0.86 ALDH1A1 (0.54) HPGDTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL9001768 0.85 POLB (0.62) HPGDTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL13533217 0.84 ACACB (0.54) HPGDTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL8006900 0.82 HSD11B1 (0.51) ALDH1A1HSD11B1KMT2AMEN1LOXL2
SCHEMBL3457613 0.82 KMT2A (0.57) HPGDTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL1691998 0.80 SMYD3 (0.49) HPGDTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL2227459 0.80 POLB (0.66) HPGDTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL3457039 0.80 ALDH1A1 (0.57) HPGDTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL23839836 0.79 HSD11B1 (0.58) HPGDTSHRALDH1A1SMN1; SMN2KDM4E

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 12 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-1776350-B1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF ß-SECRETASE ( BACE ) JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
CN-101035772-B 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-14 CN disclosed
CN-101035770-B 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV 2011-02-23 CN disclosed
CN-101035772-A 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-09-12 CN disclosed
CN-101035770-A Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-09-12 CN disclosed
CN-101035771-A 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-09-12 CN 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 HPGD 3324/4885TSHR 4868/4885ALDH1A1 2650/4885
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP HPGD 3324/4885TSHR 4868/4885ALDH1A1 2650/4885
US-20060079686-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP HPGD 3324/4885TSHR 4868/4885ALDH1A1 2650/4885

“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.