SCHEMBL12077286

SCHEMBL12077286

CCN(CC)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ KCNH2 Q12809 3/20 0.44
▸ MAPKAPK2 P49137 5/20 0.44
▸ PARP10 Q53GL7 3/20 0.43
▸ PARP11 Q9NR21 3/20 0.43
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAP4K4 O95819 3/20 0.41
▸ FYN P06241 2/20 0.41
▸ MINK1 Q8N4C8 2/20 0.41
▸ TNIK Q9UKE5 1/20 0.41
▸ RIPK2 O43353 2/20 0.41
▸ NOD2 Q9HC29 2/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ VRK2 Q86Y07 1/20 0.39

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
SCHEMBL12495502 0.92 MAPK1 (0.50) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12078212 0.88 MAPK1 (0.54) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12077934 0.85 MAPK1 (0.54) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12077346 0.85 MAPK1 (0.51) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12495167 0.85 MAPK1 (0.47) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12077599 0.84 MAPK1 (0.48) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL31079097 0.83 PARP10 (0.41) MAPK1MAPKAPK2PARP10PARP11LMNA
SCHEMBL12077423 0.83 MAPK1 (0.52) MAPK1MAPKAPK2PARP10PARP11MAP4K4
SCHEMBL12495169 0.83 KCNH2 (0.47) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL18964652 0.82 MAPK1 (0.52) MAPK1MAPKAPK2PARP10PARP11RIPK2

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
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 — — EP disclosed
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 — — EP disclosed
US-9255072-B2 Pyrazole compounds and thiazole compounds as protein kinases inhibitors National Health Rsearch Institutes (TW) 2016-02-09 — — US 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
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
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
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
US-20120225880-A1 PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 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 (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-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 MAPK1 89/4885KCNH2 4765/4885MAPKAPK2 45/4885
US-20120225880-A1 PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS FLT4, AURKB, AURKA MAPK1 464/4885KCNH2 2044/4885MAPKAPK2 329/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 MAPK1 89/4885KCNH2 4765/4885MAPKAPK2 45/4885

“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.

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