SCHEMBL16561392

SCHEMBL16561392

COc1ncccc1-c1cnn2ccc(CCCCN(C)C(=O)OC(C)C)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.55
▸ FFAR4 Q5NUL3 2/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ PTK2 Q05397 3/20 0.35
▸ MTOR P42345 1/20 0.33
▸ CAMK2D Q13557 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GPBAR1 Q8TDU6 4/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL16561386 0.97 AAK1 (0.56) AAK1FFAR4JAK2JAK3PTK2
SCHEMBL16553437 0.89 AAK1 (0.49) AAK1FFAR4JAK2JAK3PTK2
SCHEMBL29660254 0.87 AAK1 (0.56) AAK1FFAR4JAK2JAK3PTK2
SCHEMBL16553421 0.86 AAK1 (0.49) AAK1FFAR4JAK2JAK3PTK2
SCHEMBL29660313 0.85 AAK1 (0.58) AAK1FFAR4JAK2JAK3PTK2
SCHEMBL29660270 0.85 AAK1 (0.57) AAK1FFAR4JAK2JAK3PTK2
SCHEMBL16561388 0.79 IRAK4 (0.34) AAK1IRAK4
SCHEMBL16561406 0.76 IRAK4 (0.34) AAK1IRAK4
SCHEMBL16561403 0.76 PCSK9 (0.37) IRAK4
SCHEMBL29660252 0.75 AAK1 (0.42) AAK1GPBAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041475-B1 PYRAZOLO[1,5-A]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2024-10-09 — — EP disclosed
US-9862724-B2 Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2018-01-09 — — US disclosed
US-20170081330-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-03-23 — — US disclosed
US-20170081330-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-03-23 — — US disclosed
US-20150175610-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175610-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
WO-2015035117-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2015-03-12 — — WO 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-20170081330-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 AAK1 22/4885FFAR4 4146/4885JAK2 614/4885
US-20150175610-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 AAK1 22/4885FFAR4 4146/4885JAK2 614/4885

“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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