SCHEMBL2602364

SCHEMBL2602364

CCCN(Cc1cccc(Br)n1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SSTR4 P31391 1/20 0.43
HDAC1 Q13547 4/20 0.38
HDAC3 O15379 3/20 0.38
HDAC2 Q92769 3/20 0.38
NCOR2 Q9Y618 3/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
TP53 P04637 1/20 0.34
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 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
SCHEMBL171494 0.88 SSTR4 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15397431 0.86 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3511518 0.84 HTR2C (0.45) SSTR4CHRNB2CHRNA4HTR2CSLC6A4
SCHEMBL5428116 0.79 SSTR4 (0.34) SSTR4CHRNB2CHRNA4HTR2CSLC6A4
SCHEMBL17449300 0.76 KMT2A (0.40)
SCHEMBL6508147 0.76 RIPK1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14558308 0.76 SSTR4 (0.35) SSTR4CHRNB2CHRNA4HTR2CSLC6A4
SCHEMBL7553727 0.75 SSTR4 (0.35) SSTR4HCRTR1HCRTR2
SCHEMBL8011861 0.75 PPARG (0.34) SSTR4HCRTR1HCRTR2
SCHEMBL17393769 0.75 HDAC1 (0.49) SSTR4HDAC1HDAC3HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 GRIN2D 3256/4885GRIN3B 3419/4885GRIN1 3361/4885
US-20130310564-A1 Processes and Intermediates for Preparing Fused Heterocyclic Kinase Inhibitors MAP3K19, MAP3K15, MAP3K9 GRIN2D 3434/4885GRIN3B 3671/4885GRIN1 3606/4885

“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.