SCHEMBL3428480

SCHEMBL3428480

CCOc1cnc2c(n1)c(C(=O)C(C)(C)C)cn2COCC[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.36
KLKB1 P03952 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2344237 0.85 DGAT1 (0.38) DGAT1KLKB1
SCHEMBL2346604 0.85 DGAT1 (0.36) DGAT1KLKB1MAPT
SCHEMBL12402542 0.85 DGAT1 (0.36) DGAT1KLKB1MAPT
SCHEMBL650307 0.85 DGAT1 (0.42) DGAT1KLKB1MAPT
SCHEMBL1634123 0.85 DGAT1 (0.36) DGAT1KLKB1
SCHEMBL12372355 0.81 DGAT1 (0.42) DGAT1KLKB1MAPT
SCHEMBL1891747 0.80 DGAT1 (0.34) DGAT1KLKB1
SCHEMBL1635721 0.80 DGAT1 (0.37) DGAT1MAPT
SCHEMBL12661421 0.79 DGAT1 (0.33) DGAT1MAPT
SCHEMBL13689597 0.79 DGAT1 (0.35) DGAT1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902197-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-03-08 US disclosed
US-7902197-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-03-08 US disclosed
US-7902197-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-03-08 US disclosed
EP-2250172-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
WO-2009106443-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215788-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215788-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215788-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-20090215788-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 DGAT1 4730/4885KLKB1 2373/4885MAPT 3705/4885

“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.