SCHEMBL4178571

SCHEMBL4178571

Cc1nc2c(C(F)(F)F)cccc2nc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.46
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.37
NR1H3 Q13133 1/20 0.36
SORT1 Q99523 1/20 0.36
AR P10275 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR2 P34972 1/20 0.35
ESR1 P03372 1/20 0.35
HSD11B1 P28845 1/20 0.34
PARP1 P09874 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
METAP2 P50579 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4173955 0.93 NR1H2 (0.43) NR1H2ALDH1A1L3MBTL1ACHEBACE1
SCHEMBL2317818 0.79 NR1H2 (0.61) NR1H2ALDH1A1L3MBTL1NR1H3KMT2A
SCHEMBL2318698 0.76 NR1H2 (0.59) NR1H2ALDH1A1NR1H3ARGAA
SCHEMBL4178106 0.76 NR1H2 (0.43) NR1H2ALDH1A1L3MBTL1BACE1NR1H3
SCHEMBL10285536 0.76 NR1H2 (0.43) NR1H2ALDH1A1L3MBTL1BACE1NR1H3
SCHEMBL2319654 0.75 NR1H2 (0.55) NR1H2ALDH1A1NR1H3MAPTRAB9A
SCHEMBL4566447 0.75 NR1H2 (0.44) NR1H2ALDH1A1ACHENR1H3GAA
SCHEMBL2320530 0.73 NR1H2 (0.53) NR1H2ALDH1A1NR1H3ARGAA
SCHEMBL26523033 0.73 CA2 (0.48) ALDH1A1ACHEGAAMAPTRAB9A
SCHEMBL31400009 0.73 TDP1 (0.46) NR1H2BACE1NR1H3ESR1HSD11B1

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
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
EP-3045458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2016-07-20 EP disclosed
EP-2137186-B1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2016-01-27 EP disclosed
US-20150045361-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2015-02-12 US disclosed
US-8901135-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-12-02 US disclosed
US-8586739-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-19 US disclosed
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
CN-101715453-B Heterocyclic compounds and their uses AMGEN INC 2012-06-27 CN disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
CN-101715453-A Heterogeneous ring compound and application thereof AMGEN INC 2010-05-26 CN disclosed
EP-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 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 (6 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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 NR1H2 799/4885ALDH1A1 3905/4885L3MBTL1 2691/4885
US-20090137581-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 NR1H2 799/4885ALDH1A1 3905/4885L3MBTL1 2691/4885
US-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 NR1H2 799/4885ALDH1A1 3905/4885L3MBTL1 2691/4885
US-20150045361-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 NR1H2 799/4885ALDH1A1 3905/4885L3MBTL1 2691/4885
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 NR1H2 799/4885ALDH1A1 3905/4885L3MBTL1 2691/4885
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 NR1H2 799/4885ALDH1A1 3905/4885L3MBTL1 2691/4885

“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.