SCHEMBL1369830

SCHEMBL1369830

C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccc(C(=O)NCc4ccccc4)s3)nc12)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.37
DGAT1 O75907 4/20 0.34
HDAC1 Q13547 6/20 0.34
CYP3A4 P08684 1/20 0.34
AKT3 Q9Y243 2/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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 0.92 DGAT1 (0.35) DGAT1AKT3MAPTHPGD
SCHEMBL1371408 0.91 DGAT1 (0.33) DGAT1MAPTHPGD
SCHEMBL1370838 0.91 DGAT1 (0.34) DGAT1KDM4EALDH1A1GAAMAPT
SCHEMBL14796992 0.89 DGAT1 (0.34) DGAT1MAPTHPGD
SCHEMBL14795124 0.89 ESRRG (0.42) ESRRGDGAT1HDAC1CYP3A4AKT3
SCHEMBL1369228 0.88 DGAT1 (0.35) DGAT1MAPTHPGD
SCHEMBL1369229 0.85 DGAT1 (0.34) DGAT1MAPTHPGD
SCHEMBL1369660 0.84 DYRK1A (0.34) DGAT1DYRK1ADYRK1BKDM4EMAPT
SCHEMBL1370843 0.82 STIM1 (0.33) DGAT1MAPT
SCHEMBL14795236 0.80 DGAT1 (0.33) DGAT1HDAC1AKT3HDAC3HDAC4

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 ESRRG 2217/4885DGAT1 4772/4885HDAC1 1971/4885

“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.