SCHEMBL12076937

SCHEMBL12076937

N#CC1(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)NCCNC5=O)n3)cc2)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.38
▸ MAPK1 P28482 4/20 0.36
▸ PIK3CD O00329 2/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ ATR Q13535 7/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ CHEK1 O14757 1/20 0.33

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
SCHEMBL18937023 0.89 MAPK1 (0.49) MAP4K4MAPK1ATRCHEK1
SCHEMBL12495515 0.88 MAPK1 (0.45) MAP4K4MAPK1PIK3CDTBK1ATR
SCHEMBL12699851 0.87 MAPK1 (0.38) MAP4K4MAPK1ATRKCNH2MTOR
SCHEMBL12495641 0.85 MAP4K4 (0.36) MAP4K4MAPK1PIK3CDTBK1ATR
SCHEMBL12495678 0.84 MAP4K4 (0.38) MAP4K4MAPK1PIK3CDTBK1ATR
SCHEMBL12077344 0.82 MAPK1 (0.44) MAP4K4MAPK1ATR
SCHEMBL12077536 0.80 MAP4K4 (0.45) MAP4K4MAPK1
SCHEMBL12077563 0.79 MAP4K4 (0.39) MAP4K4TBK1ATRKCNH2ALOX5AP
SCHEMBL12495990 0.79 MAP4K4 (0.39) MAP4K4ATRKCNH2MTORALOX5AP
SCHEMBL12495768 0.77 MAP4K4 (0.40) MAP4K4ATRKCNH2MTORCHEK1

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 13 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
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 93/4885MAPK1 89/4885PIK3CD 676/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 MAP4K4 93/4885MAPK1 89/4885PIK3CD 676/4885

“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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