SCHEMBL2279371

SCHEMBL2279371

CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cccc(O)c3)nc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.39
PIK3CA P42336 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CB P42338 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
JAK3 P52333 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CHEK1 O14757 1/20 0.34
FYN P06241 2/20 0.33
CSNK1D P48730 2/20 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
SCHEMBL2275635 0.90 DGAT1 (0.38) DGAT1JAK3
SCHEMBL1894283 0.90 DGAT1 (0.38) DGAT1JAK3FYNCSNK1D
SCHEMBL12372516 0.90 DGAT1 (0.38) DGAT1JAK3
SCHEMBL12372355 0.90 DGAT1 (0.42) DGAT1MAPK1
SCHEMBL2281749 0.89 JAK3 (0.39) DGAT1JAK3
SCHEMBL2277464 0.87 DGAT1 (0.37) DGAT1JAK3
SCHEMBL2273028 0.85 DGAT1 (0.36) DGAT1JAK3
SCHEMBL1635282 0.85 DGAT1 (0.36) DGAT1JAK3
SCHEMBL2273709 0.85 DGAT1 (0.40) DGAT1JAK3
SCHEMBL2281494 0.85 PRKCI (0.40) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 DGAT1 4740/4885PIK3CA 293/4885MAPK1 386/4885

“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.