SCHEMBL2072282

SCHEMBL2072282

CCOP(=O)(OCC)C(C#N)=CC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.40
NEK2 P51955 1/20 0.40
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL13201731 1.00 KMT2A (0.44) KMT2AMEN1MAPTL3MBTL1LMNA
SCHEMBL12935861 1.00 KMT2A (0.44) KMT2AMEN1MAPTL3MBTL1LMNA
SCHEMBL1636050 0.85 KMT2A (0.45) KMT2AMEN1MAPTL3MBTL1LMNA
SCHEMBL1636052 0.85 KMT2A (0.45) KMT2AMEN1MAPTL3MBTL1LMNA
SCHEMBL14457119 0.78 MMP1 (0.33)
SCHEMBL2072284 0.75
SCHEMBL16510007 0.72 KMT2A (0.55) KMT2AMEN1MAPTL3MBTL1LMNA
SCHEMBL9459023 0.68 KMT2A (0.51) KMT2AMEN1MAPTL3MBTL1LMNA
SCHEMBL11350472 0.67 KMT2A (0.50) KMT2AMEN1MAPTL3MBTL1LMNA
SCHEMBL11121772 0.67 KMT2A (0.50) KMT2AMEN1MAPTL3MBTL1LMNA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238111-B1 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF -SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2013-01-16 EP disclosed
EP-2240472-B1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-11-21 EP disclosed
US-8076358-B2 6-substituted-thio-2-amino-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-12-13 US disclosed
US-7868022-B2 2-amino-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-01-11 US disclosed
EP-2240472-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF -SECRETASE (BACE) Janssen Pharmaceutica NV (BE) 2010-10-20 EP disclosed
EP-2238111-A1 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF -SECRETASE (BACE) Janssen Pharmaceutica NV (BE) 2010-10-13 EP disclosed
US-7786116-B2 2-amino-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-31 US disclosed
US-7776882-B2 2-amino-3,4-dihydro-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-08-17 US disclosed
US-20090227581-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2009-09-10 US disclosed
US-20090227627-A1 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2009-09-10 US disclosed
WO-2009097401-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 WO disclosed
WO-2009097278-A1 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 WO disclosed
US-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2008-08-14 US disclosed
US-20070232642-A1 2-AMINO-3,4-DIHYDRO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-10-04 US disclosed
WO-2007092846-A2 2-AMINO-3,4-DIHYDRO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 WO disclosed
WO-2007092854-A2 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 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 (4 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-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 KMT2A 462/4885MEN1 992/4885MAPT 58/4885
US-20070232642-A1 2-AMINO-3,4-DIHYDRO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, PSEN2, BACE1 KMT2A 684/4885MEN1 1270/4885MAPT 87/4885
US-20090227627-A1 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, PSEN2, BACE1 KMT2A 885/4885MEN1 2024/4885MAPT 24/4885
US-20090227581-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 KMT2A 530/4885MEN1 1029/4885MAPT 57/4885

“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.