SCHEMBL12078764

SCHEMBL12078764

Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)nc1-c1ccc2c(c1)C1(CC1)NC2=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 8/20 0.44
▸ PIK3CA P42336 3/20 0.44
▸ KCNH2 Q12809 3/20 0.44
▸ PIK3CD O00329 7/20 0.41
▸ PIK3R2 O00459 1/20 0.41
▸ PIK3R1 P27986 1/20 0.41
▸ PIK3R3 Q92569 1/20 0.41
▸ PIK3CB P42338 6/20 0.39
▸ ALOX5AP P20292 3/20 0.39
▸ FEN1 P39748 3/20 0.39
▸ ATR Q13535 3/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ PRKDC P78527 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MAP2K7 O14733 1/20 0.37
▸ MAP2K4 P45985 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PARG Q86W56 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
SCHEMBL12495701 0.89 KCNH2 (0.46) PIK3CGPIK3CAKCNH2PIK3CDPIK3R2
SCHEMBL12496272 0.86 KCNH2 (0.58) PIK3CGKCNH2PIK3CDPIK3CBALOX5AP
SCHEMBL18936948 0.86 PIK3CG (0.43) PIK3CGPIK3CAKCNH2PIK3CDPIK3R2
SCHEMBL12495821 0.85 KCNH2 (0.45) PIK3CGPIK3CAKCNH2PIK3CDPIK3R2
SCHEMBL12496252 0.84 KCNH2 (0.44) PIK3CGPIK3CAKCNH2PIK3CDPIK3R2
SCHEMBL18964661 0.84 NPY5R (0.33) ATR
SCHEMBL12495772 0.81 KCNH2 (0.45) PIK3CGPIK3CAKCNH2PIK3CDPIK3R2
SCHEMBL18936946 0.81 MAPK1 (0.48) PIK3CGPIK3CAKCNH2PIK3CDPIK3R2
SCHEMBL12496015 0.79 GSK3B (0.44) PIK3CGPIK3CAKCNH2PIK3CDPIK3R2
SCHEMBL12495960 0.79 KCNH2 (0.43) PIK3CGPIK3CAKCNH2PIK3CDPIK3R2

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 12 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-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
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 PIK3CG 865/4885PIK3CA 725/4885KCNH2 4765/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 PIK3CG 865/4885PIK3CA 725/4885KCNH2 4765/4885

“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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