SCHEMBL2380156

SCHEMBL2380156

CCn1cc(-c2cnc3c(n2)c(C(=O)N[C@@H](C(=O)N2CCCC2)C(C)(C)C)cn3COCC[Si](C)(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
JAK3 P52333 2/20 0.40
CNR2 P34972 2/20 0.34
MAPK1 P28482 1/20 0.34
DGAT1 O75907 2/20 0.32
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
TYK2 P29597 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
SCHEMBL1368694 0.85 JAK2 (0.40) JAK2JAK1JAK3MAPK1DGAT1
SCHEMBL2379249 0.84 CNR2 (0.36) JAK2JAK1JAK3CNR2DGAT1
SCHEMBL2379093 0.84 JAK2 (0.45) JAK2JAK1JAK3CNR2DGAT1
SCHEMBL2379097 0.84 JAK2 (0.45) JAK2JAK1JAK3CNR2DGAT1
SCHEMBL1352318 0.80 MAPT (0.42) JAK2JAK1JAK3MAPK1DGAT1
SCHEMBL1371233 0.79 DGAT1 (0.37) JAK2JAK1JAK3MAPK1DGAT1
SCHEMBL2378085 0.78 JAK3 (0.62) JAK2JAK1JAK3MAPK1TYK2
SCHEMBL12332949 0.78 JAK3 (0.62) JAK2JAK1JAK3MAPK1TYK2
SCHEMBL14751009 0.77 CNR2 (0.34) JAK2JAK1JAK3CNR2DGAT1
SCHEMBL12333133 0.77 ATR (0.38) JAK2JAK1JAK3MAPK1DGAT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
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 JAK2 5/4885JAK1 6/4885JAK3 13/4885

“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.