SCHEMBL1371233

SCHEMBL1371233

C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cnn(C)c3)nc12)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.37
MAPK1 P28482 5/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
KDR P35968 4/20 0.34
FGFR1 P11362 3/20 0.34
FGFR3 P22607 3/20 0.34
PIK3CA P42336 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
MERTK Q12866 2/20 0.33
AXL P30530 1/20 0.33
CLK1 P49759 1/20 0.33
NTRK1 P04629 1/20 0.33
RET P07949 1/20 0.33
EPHB2 P29323 1/20 0.33

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
SCHEMBL1372152 0.91 JAK2 (0.39) DGAT1MAPK1JAK2JAK1JAK3
SCHEMBL1368694 0.85 JAK2 (0.40) DGAT1MAPK1JAK2JAK1JAK3
SCHEMBL1371023 0.84 CHEK1 (0.41) DGAT1MAPK1KDRFGFR1FGFR3
SCHEMBL1370337 0.84 DGAT1 (0.38) DGAT1JAK2JAK1JAK3
SCHEMBL1370835 0.83 DGAT1 (0.35) DGAT1JAK2JAK1JAK3
SCHEMBL1370838 0.82 DGAT1 (0.34) DGAT1JAK2JAK1JAK3
SCHEMBL1369229 0.82 DGAT1 (0.34) DGAT1JAK2JAK1JAK3
SCHEMBL1369228 0.81 DGAT1 (0.35) DGAT1JAK2JAK1JAK3
SCHEMBL1371408 0.80 DGAT1 (0.33) DGAT1JAK2JAK1JAK3
SCHEMBL2380156 0.79 JAK2 (0.40) DGAT1MAPK1JAK2JAK1JAK3

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 4772/4885MAPK1 438/4885JAK2 3/4885

“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.