SCHEMBL1498807

SCHEMBL1498807

CC1CN(C(=O)OC(C)(C)C)CCN1CC=CC#N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CTSK P43235 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ SMARCA2 P51531 1/20 0.36
▸ SMARCA4 P51532 1/20 0.36
▸ PBRM1 Q86U86 1/20 0.36
▸ SETD7 Q8WTS6 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2085184 1.00 GPR119 (0.44) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL2085186 1.00 GPR119 (0.44) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL2085183 1.00 GPR119 (0.44) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL2087770 1.00 GPR119 (0.44) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL2087767 1.00 GPR119 (0.44) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL28722427 0.85 NR1H2 (0.40) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL28721919 0.85 NR1H2 (0.40) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL28721921 0.85 NR1H2 (0.40) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL1498900 0.84 MEN1 (0.41) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL1498898 0.84 MEN1 (0.41) GPR119MEN1ALDH1A1MAPTKMT2A

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 3 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
WO-2011028685-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-03-10 — — WO 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 GPR119 3664/4885MEN1 3611/4885ALDH1A1 3201/4885

“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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