SCHEMBL1892941

SCHEMBL1892941

CN1CCC(Nc2cccc(-c3cnc4c(n3)c(C(=O)C(C)(C)C)cn4COCC[Si](C)(C)C)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.37
JAK3 P52333 1/20 0.37
JAK2 O60674 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ATR Q13535 2/20 0.35
BRAF P15056 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
DYRK1A Q13627 1/20 0.33
MELK Q14680 1/20 0.32
MAP4K4 O95819 1/20 0.32
SGK1 O00141 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
SCHEMBL1898816 0.91 JAK3 (0.39) DGAT1JAK3JAK2TLR9TLR7
SCHEMBL1890271 0.89 PTPN1 (0.40) DGAT1JAK3
SCHEMBL1890628 0.88 JAK3 (0.37) DGAT1JAK3ATRBRAFFGFR3
SCHEMBL1889169 0.85 JAK3 (0.37) DGAT1JAK3
SCHEMBL1889168 0.85 JAK3 (0.37) DGAT1JAK3
SCHEMBL1893356 0.85 JAK3 (0.37) DGAT1JAK3
SCHEMBL2277464 0.83 DGAT1 (0.37) DGAT1JAK3FGFR3KDR
SCHEMBL2273709 0.81 DGAT1 (0.40) DGAT1JAK3ATR
SCHEMBL2279371 0.81 DGAT1 (0.39) DGAT1JAK3
SCHEMBL12372513 0.81 DGAT1 (0.37) DGAT1JAK3ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 DGAT1 4730/4885JAK3 7/4885JAK2 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.