SCHEMBL1896589

SCHEMBL1896589

CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(N3CCc4ccccc4C3=O)nc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.32
DGAT1 O75907 6/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 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
SCHEMBL1897755 0.92 MAP3K5 (0.33) DGAT1BRD4CREBBPTP53MDM2
SCHEMBL1892904 0.90 RXRA (0.37) DGAT1
SCHEMBL27799383 0.85 GRIN2D (0.37) DGAT1
SCHEMBL1891747 0.83 DGAT1 (0.34) DGAT1
SCHEMBL1895370 0.83 DGAT1 (0.32) DGAT1
SCHEMBL1892336 0.77 CDK2 (0.34) DGAT1
SCHEMBL2346604 0.77 DGAT1 (0.36) DGAT1
SCHEMBL12372355 0.76 DGAT1 (0.42) DGAT1
SCHEMBL1635721 0.75 DGAT1 (0.37) DGAT1
SCHEMBL2344237 0.75 DGAT1 (0.38) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
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 BCAT2 3191/4885DGAT1 4730/4885BRD4 697/4885

“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.