SCHEMBL2713495

SCHEMBL2713495

COc1cccc(-c2ncc(Br)cc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.49
ADORA1 P30542 3/20 0.49
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TDO2 P48775 1/20 0.47
PIK3CG P48736 2/20 0.46
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
ADORA2B P29275 1/20 0.45
CLK1 P49759 4/20 0.45
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
FYN P06241 2/20 0.44
DPP4 P27487 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIK3CD O00329 1/20 0.43
ABL1 P00519 1/20 0.43

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
SCHEMBL2409696 0.84 DHODH (0.49) ADORA2AADORA1DYRK1ACLK4TDO2
SCHEMBL2712882 0.83 DYRK1B (0.49) ADORA1DYRK1ATP53HPGDHTT
SCHEMBL1679504 0.79 FYN (0.64) ADORA2AADORA1DYRK1ACLK4TDO2
SCHEMBL29858064 0.79 FYN (0.64) ADORA2AADORA1DYRK1ACLK4TDO2
SCHEMBL2404738 0.79 ADORA2A (0.49) ADORA2AADORA1DYRK1ACLK4TDO2
SCHEMBL17111748 0.77 PRKD3 (0.42) ADORA2AADORA1DYRK1ACLK4HPGD
SCHEMBL27866855 0.77 DYRK1A (0.60) ADORA2AADORA1DYRK1ACLK4TDO2
SCHEMBL2711039 0.77 NPC1 (0.48) ADORA2ADYRK1ACLK4HPGDKMT2A
SCHEMBL8257036 0.76 KCNA5 (0.43) ADORA2AADORA1DYRK1ACLK4HTT
SCHEMBL29930535 0.75 GAA (0.49) ADORA2AADORA1DYRK1ACLK4CLK1

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 ADORA2A 1363/4885ADORA1 3446/4885DYRK1A 2159/4885

“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.