SCHEMBL12077162

SCHEMBL12077162

CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCCNC4=O)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.41
▸ ATR Q13535 15/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ PRKDC P78527 3/20 0.37
▸ ATM Q13315 3/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ CCNE2 O96020 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36

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
SCHEMBL12496279 0.95 MAPK1 (0.42) KCNH2ATRMAPK1PRKDCATM
SCHEMBL12495504 0.88 MAPK1 (0.41) KCNH2ATRMAPK1PRKDCATM
SCHEMBL12495193 0.87 MAPK1 (0.41) KCNH2ATRMAPK1PRKDCATM
SCHEMBL12495648 0.87 MAPK1 (0.41) KCNH2ATRMAPK1GSK3BCDK2
SCHEMBL18936961 0.85 MAPK1 (0.40) KCNH2ATRMAPK1PRKDCATM
SCHEMBL18964246 0.84 MAPK1 (0.37) KCNH2ATRMAPK1PRKDCATM
SCHEMBL12495622 0.83 MAPK1 (0.43) KCNH2ATRMAPK1PRKDCATM
SCHEMBL12077727 0.83 MAPK1 (0.42) KCNH2ATRMAPK1GSK3BCCNE2
SCHEMBL18936949 0.83 MAPK1 (0.44) KCNH2ATRMAPK1PRKDCATM
SCHEMBL12495170 0.83 MAPK1 (0.45) KCNH2ATRMAPK1PRKDCATM

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 14 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-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-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 KCNH2 4765/4885ATR 330/4885MAPK1 89/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 KCNH2 4765/4885ATR 330/4885MAPK1 89/4885

“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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