SCHEMBL107426

SCHEMBL107426

COCCN(Cc1cccc(Br)n1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTK2B Q14289 1/20 0.36
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL171494 0.84 SSTR4 (0.42) HDAC1HDAC6CHRNB2CHRNA4HTR7
SCHEMBL17820939 0.83 BRD4 (0.38) HDAC1HDAC6ALDH1A1HSD17B10KDM4E
SCHEMBL3511520 0.79 FAAH (0.36) CHRNB2CHRNA4ALDH1A1GRIN2DGRIN3B
SCHEMBL17820658 0.79 KDM4E (0.36) HDAC1HDAC6ALDH1A1HSD17B10KDM4E
SCHEMBL15104716 0.78 SLC6A9 (0.39) CHRNB2CHRNA4
SCHEMBL10172342 0.77 HTR7 (0.41) CHRNB2CHRNA4HTR7ALDH1A1GRIN2D
SCHEMBL3669973 0.75 HPGD (0.40) CHRNB2CHRNA4HTR7ALDH1A1GRIN2D
SCHEMBL3571606 0.74 PTGES (0.55) HDAC1HDAC6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3574502 0.74 HDAC1 (0.52) HDAC1HDAC6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL17441430 0.73 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2HTTMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20130310564-A1 Processes and Intermediates for Preparing Fused Heterocyclic Kinase Inhibitors METHYLGENE INC. (CA) 2013-11-21 US disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 US disclosed
EP-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 EP disclosed
EP-2183255-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MethylGene Inc. (CA) 2010-05-12 EP disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
WO-2009026720-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS METHYLGENE INC. (CA) 2009-03-05 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 (3 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 HDAC1 3154/4885HDAC6 3301/4885CHRNB2 3838/4885
US-20130310564-A1 Processes and Intermediates for Preparing Fused Heterocyclic Kinase Inhibitors MAP3K19, MAP3K15, MAP3K9 HDAC1 3141/4885HDAC6 2816/4885CHRNB2 4225/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 HDAC1 3154/4885HDAC6 3301/4885CHRNB2 3838/4885

“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.