SCHEMBL1890871

SCHEMBL1890871

CC1(C(=O)c2cn(COCC[Si](C)(C)C)c3ncc(-c4cccc(NC5CCCC5)c4)nc23)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.35
PTPN1 P18031 4/20 0.34
TLR9 Q9NR96 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CDK9 P50750 2/20 0.31
CNR1 P21554 1/20 0.31
JAK3 P52333 1/20 0.31
EIF4EBP1 Q13541 1/20 0.31
FYN P06241 1/20 0.31
PTK2 Q05397 1/20 0.30
LDHA P00338 1/20 0.30
LDHB P07195 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
SCHEMBL2277309 0.90 LDHA (0.36) DGAT1PTPN1BRD4CREBBPCNR1
SCHEMBL1898816 0.87 JAK3 (0.39) DGAT1PTPN1TLR9TLR7CNR1
SCHEMBL2279764 0.86 DGAT1 (0.33) DGAT1BRD4CREBBP
SCHEMBL2279642 0.86 DGAT1 (0.34) DGAT1BRD4CREBBP
SCHEMBL2277308 0.85 MAP4K4 (0.36) DGAT1BRD4CREBBP
SCHEMBL2277097 0.85 DGAT1 (0.34) DGAT1BRD4CREBBP
SCHEMBL2278535 0.85 DGAT1 (0.34) DGAT1BRD4CREBBP
SCHEMBL2362554 0.81 BRD4 (0.32) DGAT1BRD4CREBBP
SCHEMBL2274276 0.81 BRD4 (0.32) DGAT1BRD4CREBBP
SCHEMBL2274280 0.81 BRD4 (0.32) DGAT1BRD4CREBBP

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 14 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
EP-2247592-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
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 DGAT1 4740/4885PTPN1 16/4885TLR9 899/4885
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 DGAT1 4730/4885PTPN1 20/4885TLR9 788/4885

“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.