SCHEMBL2379249

SCHEMBL2379249

CC(C)(C)[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(=O)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.36
DGAT1 O75907 2/20 0.34
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
JAK3 P52333 3/20 0.32
TYK2 P29597 1/20 0.32
CNR1 P21554 3/20 0.31
CCR1 P32246 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
SCHEMBL14751009 0.92 CNR2 (0.34) CNR2DGAT1JAK2JAK1JAK3
SCHEMBL2378332 0.90 JAK3 (0.41) CNR2DGAT1JAK2JAK1JAK3
SCHEMBL2379093 0.88 JAK2 (0.45) CNR2DGAT1JAK2JAK1JAK3
SCHEMBL2379097 0.88 JAK2 (0.45) CNR2DGAT1JAK2JAK1JAK3
SCHEMBL1371873 0.85 DGAT1 (0.39) DGAT1JAK2JAK1JAK3
SCHEMBL1370337 0.85 DGAT1 (0.38) DGAT1JAK2JAK1JAK3
SCHEMBL2380156 0.84 JAK2 (0.40) CNR2DGAT1JAK2JAK1JAK3
SCHEMBL12145968 0.82 DGAT1 (0.38) DGAT1JAK2JAK1JAK3
SCHEMBL1372324 0.82 DGAT1 (0.38) DGAT1JAK2JAK1JAK3
SCHEMBL14751092 0.81 DGAT1 (0.37) DGAT1

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-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK CNR2 3149/4885DGAT1 4811/4885JAK2 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.