SCHEMBL1894239

SCHEMBL1894239

CC1(C(=O)c2cn(COCC[Si](C)(C)C)c3ncc(-c4ccc(C(=O)O)s4)nc23)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
KLKB1 P03952 1/20 0.32
DGAT1 O75907 5/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL1890943 0.88 DGAT1 (0.31) DGAT1
SCHEMBL1892807 0.81 DGAT1 (0.37) KLKB1DGAT1
SCHEMBL1893329 0.80 DGAT1 (0.37) KLKB1DGAT1
SCHEMBL12449914 0.80 DGAT1 (0.32) KLKB1DGAT1
SCHEMBL2279764 0.80 DGAT1 (0.33) DGAT1
SCHEMBL2279642 0.80 DGAT1 (0.34) DGAT1
SCHEMBL14795236 0.79 DGAT1 (0.33) KLKB1DGAT1KDM4EGAA
SCHEMBL2278535 0.79 DGAT1 (0.34) KLKB1DGAT1
SCHEMBL2277097 0.79 DGAT1 (0.34) KLKB1DGAT1
SCHEMBL27820543 0.79 DGAT1 (0.31) KLKB1DGAT1

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 9 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
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US 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
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US 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 RARA 4096/4885RARB 3563/4885RARG 3540/4885

“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.