SCHEMBL12078239

SCHEMBL12078239

[2H]C1([2H])CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.38
PARP11 Q9NR21 6/20 0.38
LPL P06858 4/20 0.37
LIPG Q9Y5X9 4/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ROCK1 Q13464 1/20 0.36
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
BACE1 P56817 1/20 0.34
GRM5 P41594 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 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
SCHEMBL1636716 0.86 PARP10 (0.54) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL30720809 0.86 PARP10 (0.54) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL12077902 0.84 PARP11 (0.44) PARP10PARP11LPLLIPGBACE1
SCHEMBL29964464 0.84 PARP11 (0.44) PARP10PARP11LPLLIPGBACE1
SCHEMBL274197 0.83 ROCK1 (0.43) LPLLIPGPRMT5WDR77ROCK1
SCHEMBL12077888 0.80 LPL (0.37) PARP10PARP11LPLLIPGPRMT5
SCHEMBL2052209 0.78 PARP10 (0.54) PARP10PARP11LPLLIPGPRMT5
SCHEMBL29676875 0.78 PARP10 (0.54) PARP10PARP11LPLLIPGPRMT5
SCHEMBL29964831 0.76 FABP6 (0.45) PARP10PARP11LPLLIPGPRMT5
SCHEMBL392410 0.75 CLK4 (0.44) PARP10LPLLIPGPRMT5WDR77

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-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2014-02-20 US disclosed
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2014-02-20 US disclosed
EP-2681206-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2014-01-08 EP disclosed
US-8440652-B2 MST1 kinase inhibitors and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8440652-B2 MST1 kinase inhibitors and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
WO-2012121992-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-09-13 WO disclosed
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-09-06 US disclosed
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-09-06 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-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 PARP10 1435/4885PARP11 1232/4885LPL 3628/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 PARP10 1435/4885PARP11 1232/4885LPL 3628/4885

“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.