SCHEMBL2713657

SCHEMBL2713657

Nc1cc(NC(=O)C2CC2)cc(N2CCOCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
SHMT2 P34897 2/20 0.51
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 7/20 0.49
GSK3B P49841 1/20 0.49
EPHX2 P34913 1/20 0.47
GBA1 P04062 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
KMT2A Q03164 2/20 0.46
PDPK1 O15530 1/20 0.46
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL2711187 0.83 AKT1 (0.52) ALDH1A1MAPTTDP1KDM4ESMN1; SMN2
SCHEMBL2710902 0.80 MAPT (0.51) ALDH1A1TSHRMAPTKDM4ESMN1; SMN2
SCHEMBL1571155 0.74 LGMN (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL13973218 0.74 ALDH1A1 (0.72) ALDH1A1MAPTEPHX2TDP1KDM4E
SCHEMBL2712064 0.74 LGMN (0.53) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL1172028 0.74 LGMN (0.53) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL13961959 0.72 ALDH1A1 (0.44) ALDH1A1MAPTGBA1KDM4E
SCHEMBL1172318 0.72 MET (0.45) TSHRMAPTEPHX2KMT2A
SCHEMBL4442165 0.72 LGMN (0.42) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL8772494 0.72 ALDH1A1 (0.69) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2

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
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
CN-102625799-A Heterocyclic compounds and their uses AMGEN INC 2012-08-01 CN disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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 (1 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 ALDH1A1 4025/4885SHMT2 2437/4885HPGD 2597/4885

“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.