SCHEMBL2712705

SCHEMBL2712705

Nc1cc(N2CCOCC2)cc(N2CCCC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.44
MTOR P42345 2/20 0.40
TSHR P16473 1/20 0.40
LGMN Q99538 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.38
PRKDC P78527 1/20 0.38
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
XDH P47989 1/20 0.37

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
SCHEMBL5219456 0.84 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EKMT2ATSHR
SCHEMBL4433432 0.83 F10 (0.46) KDM4EKMT2ALMNALGMNPRKDC
SCHEMBL23000091 0.82 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EKMT2ALMNA
SCHEMBL2712305 0.82 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EKMT2ALMNA
SCHEMBL5222147 0.82 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EKMT2ATSHR
SCHEMBL1172028 0.82 LGMN (0.53) ALDH1A1HPGDKDM4EKMT2ALMNA
SCHEMBL5129511 0.80 LGMN (0.49) ALDH1A1KDM4EKMT2ALMNALGMN
SCHEMBL5220346 0.80 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EKMT2ACYP1A2
SCHEMBL5131921 0.79 LGMN (0.47) ALDH1A1KDM4EKMT2ALMNALGMN
SCHEMBL5129867 0.79 MAPT (0.52) ALDH1A1KDM4EKMT2ALMNALGMN

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 4025/4885HPGD 2597/4885KDM4E 2124/4885

“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.