SCHEMBL243229

SCHEMBL243229

O=C(O)C(=O)CNc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.48
FEN1 P39748 2/20 0.48
PTPN1 P18031 1/20 0.48
ERCC1 P07992 2/20 0.47
ERCC4 Q92889 2/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
AKR1C3 P42330 1/20 0.46
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
Hydrochloric Acid SCHEMBL2006870 0.81 ABAT (0.53) ERCC1ERCC4ALDH1A1LMNAPKM
SCHEMBL1330698 0.81 ABAT (0.53) ERCC1ERCC4ALDH1A1LMNAPKM
Benzene SCHEMBL27714747 0.81 ABAT (0.53) ERCC1ERCC4ALDH1A1LMNAPKM
SCHEMBL7785939 0.81 ABAT (0.53) ERCC1ERCC4ALDH1A1LMNAPKM
SCHEMBL41828 0.81 ABAT (0.53) ERCC1ERCC4ALDH1A1LMNAPKM
Hydrochloric Acid SCHEMBL3069393 0.81 ABAT (0.53) ERCC1ERCC4ALDH1A1LMNAPKM
SCHEMBL11388483 0.80 ERCC1 (0.46) PTPN1ERCC1ERCC4ALDH1A1LMNA
SCHEMBL8049927 0.80 ERCC1 (0.46) ERCC1ERCC4ALDH1A1LMNAPKM
SCHEMBL8049928 0.80 ERCC1 (0.46) ERCC1ERCC4ALDH1A1LMNAPKM
SCHEMBL2573296 0.80 CA2 (0.48) ERCC1ERCC4ALDH1A1LMNAPKM

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 18 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
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-20130143882-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-06-06 US disclosed
EP-2588477-A1 QUINOLINES AS PI3K INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
EP-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
EP-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003278-A1 QUINOLINES AS P13K INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151737-A2 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 (5 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-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ERCC5 3618/4885FEN1 4864/4885PTPN1 367/4885
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 ERCC5 3935/4885FEN1 4863/4885PTPN1 236/4885
US-20130143882-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES PI4KB, PI4KA, PIK3C3 ERCC5 2435/4885FEN1 4634/4885PTPN1 1096/4885
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 ERCC5 3935/4885FEN1 4863/4885PTPN1 236/4885
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 ERCC5 3784/4885FEN1 4844/4885PTPN1 419/4885

“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.