SCHEMBL2279386

SCHEMBL2279386

CC(C)[Si](OCC(C)(C)C(=O)O)(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
DGAT1 O75907 14/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ACLY P53396 1/20 0.31
NAALAD2 Q9Y3Q0 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
SCHEMBL1691164 0.80 DGAT1 (0.33) DGAT1
SCHEMBL1691636 0.74
SCHEMBL161037 0.72 CYP2C9 (0.35) CYP2C9DGAT1ACACBACACAACLY
SCHEMBL8168918 0.72 CYP2C19 (0.31)
SCHEMBL8052693 0.71 CYP2C9 (0.42) CYP2C9DGAT1ACACBACACAACLY
SCHEMBL3691059 0.71 CYP2C9 (0.37) CYP2C9DGAT1ACACBACACAACLY
SCHEMBL5851756 0.70 CYP2C9 (0.36) CYP2C9DGAT1ACACBACACAACLY
SCHEMBL11366605 0.70 CYP2C9 (0.40) CYP2C9DGAT1ACACBACACAACLY
SCHEMBL2276576 0.70 NUDT1 (0.32)
SCHEMBL646068 0.69 TSHR (0.36)

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 CYP2C9 3511/4885DGAT1 4740/4885ACACB 4042/4885

“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.