SCHEMBL1369229

SCHEMBL1369229

C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccc(C=O)s3)nc12)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.34
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
PDE10A Q9Y233 2/20 0.32
HPGDS O60760 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
SCHEMBL1370835 0.91 DGAT1 (0.35) DGAT1MAPTHPGDJAK2JAK1
SCHEMBL1370838 0.89 DGAT1 (0.34) DGAT1MAPTHPGDJAK2JAK1
SCHEMBL1369228 0.88 DGAT1 (0.35) DGAT1MAPTHPGDJAK2JAK1
SCHEMBL1371408 0.88 DGAT1 (0.33) DGAT1MAPTHPGDJAK2JAK1
SCHEMBL14796992 0.86 DGAT1 (0.34) DGAT1MAPTHPGDJAK2JAK1
SCHEMBL14795118 0.85 DGAT1 (0.34) DGAT1MAPTPDE10AHPGDS
SCHEMBL1369830 0.85 ESRRG (0.37) DGAT1MAPTHPGD
SCHEMBL1369660 0.83 DYRK1A (0.34) DGAT1MAPTHPGDJAK2JAK1
SCHEMBL1370337 0.82 DGAT1 (0.38) DGAT1MAPTHPGDJAK2JAK1
SCHEMBL1371233 0.82 DGAT1 (0.37) DGAT1JAK2JAK1JAK3

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
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 DGAT1 4772/4885MAPT 3873/4885HPGD 3393/4885

“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.