SCHEMBL12090677

SCHEMBL12090677

CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)C3(CC3)CNC4=O)n2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 1/20 0.34
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ NEK2 P51955 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ MAP4K1 Q92918 3/20 0.33
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ MAPKAPK2 P49137 3/20 0.31
▸ ATR Q13535 4/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL12077727 0.85 MAPK1 (0.42) CCNE2CCNE1CDK2GSK3BNEK2
SCHEMBL18937000 0.82 PIK3CG (0.42) TYRO3KCNH2ALOX5APFEN1
SCHEMBL18936981 0.78 KCNH2 (0.39) TYRO3KCNH2MAP4K1ALOX5APFEN1
SCHEMBL18937005 0.76 NOS1 (0.38) TYRO3NEK2KCNH2MAP4K1MAPKAPK2
SCHEMBL12495176 0.76 MAPK1 (0.40) CDK2GSK3BKCNH2MAPKAPK2ATR
SCHEMBL12077772 0.76 MAPK1 (0.42) CDK2GSK3BALOX5APFEN1MAPKAPK2
SCHEMBL12496291 0.74 MAPK1 (0.40) CDK2GSK3BALOX5APFEN1MAPKAPK2
SCHEMBL18937027 0.74 ATR (0.45) KCNH2ALOX5APFEN1MAPKAPK2ATR
SCHEMBL12496007 0.74 PIK3CG (0.43) TYRO3KCNH2ALOX5APFEN1
SCHEMBL18936948 0.73 PIK3CG (0.43) KCNH2ALOX5APFEN1ATRPRKDC

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 8 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
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 TYRO3 723/4885CCNE2 4084/4885CCNE1 3157/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 TYRO3 723/4885CCNE2 4084/4885CCNE1 3157/4885

“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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