SCHEMBL2085596

SCHEMBL2085596

CC(C)(C)OC(=O)N1CCN(C/C=C\C#N)C(CO[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GPR119 Q8TDV5 9/20 0.37
▸ NSD2 O96028 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ GLS O94925 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
SCHEMBL2084749 1.00 MEN1 (0.38) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL2084747 1.00 MEN1 (0.38) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL1498900 0.86 MEN1 (0.41) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL1498897 0.86 MEN1 (0.41) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL1498898 0.86 MEN1 (0.41) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL1498807 0.80 GPR119 (0.44) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL2085183 0.80 GPR119 (0.44) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL2087770 0.80 GPR119 (0.44) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL2087767 0.80 GPR119 (0.44) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL2085186 0.80 GPR119 (0.44) MEN1ALDH1A1MAPTKMT2AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 — — US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 — — 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 (1 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-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MEN1 3611/4885ALDH1A1 3201/4885MAPT 3788/4885

“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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