SCHEMBL12077563

SCHEMBL12077563

N#CC1(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)C4(CC4)CNC5=O)n3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.39
▸ MAPKAPK2 P49137 2/20 0.34
▸ ATR Q13535 4/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ TYRO3 Q06418 2/20 0.31
▸ MAP4K1 Q92918 2/20 0.31
▸ AXL P30530 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ DBF4 Q9UBU7 1/20 0.31
▸ NEK2 P51955 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ PRKDC P78527 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
SCHEMBL12495990 0.90 MAP4K4 (0.39) MAP4K4ATRCHEK1FGFR1FGFR4
SCHEMBL18937027 0.88 ATR (0.45) MAP4K4MAPKAPK2ATRFGFR1FGFR2
SCHEMBL12495768 0.85 MAP4K4 (0.40) MAP4K4ATRCHEK1FGFR1FGFR4
SCHEMBL18937005 0.84 NOS1 (0.38) MAPKAPK2ATRTYRO3MAP4K1CDC7
SCHEMBL12495641 0.84 MAP4K4 (0.36) MAP4K4MAPKAPK2ATRCHEK1CDC7
SCHEMBL12077344 0.84 MAPK1 (0.44) MAP4K4MAPKAPK2ATR
SCHEMBL12077536 0.81 MAP4K4 (0.45) MAP4K4MAPKAPK2
SCHEMBL18936993 0.79 MAP4K4 (0.50) MAP4K4MAPKAPK2MAP4K1TBK1KCNH2
SCHEMBL12076937 0.79 MAP4K4 (0.38) MAP4K4ATRCHEK1TBK1ALOX5AP
SCHEMBL12495678 0.79 MAP4K4 (0.38) MAP4K4ATRCHEK1TBK1ALOX5AP

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
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
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 MAP4K4 93/4885MAPKAPK2 45/4885ATR 330/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 MAP4K4 93/4885MAPKAPK2 45/4885ATR 330/4885

“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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