SCHEMBL1897755

SCHEMBL1897755

CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(N3Cc4ccccc4C3=O)nc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 7/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
DGAT1 O75907 5/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1A P35348 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
CYP11B2 P19099 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
SCHEMBL1896589 0.92 BCAT2 (0.32) TP53MDM2DGAT1BRD4CREBBP
SCHEMBL1891747 0.87 DGAT1 (0.34) DGAT1NPC1
SCHEMBL1892904 0.85 RXRA (0.37) DGAT1RAB9A
SCHEMBL1895370 0.83 DGAT1 (0.32) DGAT1NPC1
SCHEMBL2378529 0.78 KLKB1 (0.34) MAP3K5DGAT1BRD4CREBBP
SCHEMBL1892336 0.78 CDK2 (0.34) DGAT1GAANPC1RAB9A
SCHEMBL2346604 0.78 DGAT1 (0.36) DGAT1NPC1
SCHEMBL12372355 0.78 DGAT1 (0.42) DGAT1
SCHEMBL1635721 0.76 DGAT1 (0.37) DGAT1NPC1
SCHEMBL2344237 0.76 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 10 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
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 MAP3K5 115/4885TP53 2290/4885MDM2 2514/4885

“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.