SCHEMBL1369418

SCHEMBL1369418

CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.38
JAK3 P52333 4/20 0.38
JAK1 P23458 3/20 0.38
DGAT1 O75907 5/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
SMYD3 Q9H7B4 2/20 0.33
NTRK1 P04629 2/20 0.32
KCNK3 O14649 1/20 0.32
KLKB1 P03952 1/20 0.31
MAPT P10636 1/20 0.31
TTK P33981 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
SCHEMBL1371873 0.90 DGAT1 (0.39) JAK2JAK3JAK1DGAT1KLKB1
SCHEMBL29936388 0.85 HCAR2 (0.40) JAK3DGAT1
SCHEMBL1370337 0.85 DGAT1 (0.38) JAK2JAK3JAK1DGAT1MAPT
SCHEMBL14751074 0.85 HCAR2 (0.40) JAK3DGAT1
SCHEMBL29936175 0.85 HCAR2 (0.40) JAK3DGAT1
SCHEMBL29936386 0.85 HCAR2 (0.40) JAK3DGAT1
SCHEMBL18210148 0.85 HCAR2 (0.40) JAK3DGAT1
SCHEMBL18210150 0.85 HCAR2 (0.40) JAK3DGAT1
SCHEMBL14750993 0.85 JAK1 (0.33) JAK2JAK3JAK1DGAT1SMYD3
SCHEMBL12145968 0.85 DGAT1 (0.38) JAK2JAK3JAK1DGAT1IRAK4

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 JAK2 3/4885JAK3 7/4885JAK1 5/4885

“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.