SCHEMBL2346604

SCHEMBL2346604

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KLKB1 P03952 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HBB P68871 2/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.31
PNP P00491 1/20 0.31
TSHR P16473 1/20 0.31
EDNRA P25101 1/20 0.31
HTR2A P28223 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL650307 0.87 DGAT1 (0.42) DGAT1KLKB1MAPT
SCHEMBL12402542 0.87 DGAT1 (0.36) DGAT1KLKB1MAPT
SCHEMBL15570073 0.87 DGAT1 (0.37) DGAT1ALOX5APFEN1MAPT
SCHEMBL3428480 0.85 DGAT1 (0.36) DGAT1KLKB1MAPT
SCHEMBL12372355 0.83 DGAT1 (0.42) DGAT1KLKB1MAPK1MAPT
SCHEMBL1894283 0.82 DGAT1 (0.38) DGAT1ALOX5APFEN1NPC1MAPT
SCHEMBL2344237 0.81 DGAT1 (0.38) DGAT1KLKB1MAPK1
SCHEMBL1635721 0.81 DGAT1 (0.37) DGAT1NPC1MAPT
SCHEMBL1634123 0.81 DGAT1 (0.36) DGAT1KLKB1
SCHEMBL13689597 0.81 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250172-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP 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
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
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 4730/4885MEN1 3942/4885KMT2A 1279/4885

“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.