SCHEMBL2278153

SCHEMBL2278153

CC(C)(C)OC(=O)CN1CCN(c2cccc(-c3cnc4c(n3)c(C(=O)C(C)(C)C)cn4COCC[Si](C)(C)C)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.35
JAK2 O60674 1/20 0.35
DGAT1 O75907 7/20 0.34
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
ADORA2A P29274 1/20 0.32
ATR Q13535 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
PDE4D Q08499 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL2277832 0.90 ADORA2A (0.41) JAK3JAK2ADORA2AATRPDE4D
SCHEMBL2272747 0.89 DGAT1 (0.38) JAK3JAK2DGAT1GSK3BDRD2
SCHEMBL27822529 0.88 DGAT1 (0.34) JAK3JAK2DGAT1ATRDRD2
SCHEMBL2273709 0.87 DGAT1 (0.40) JAK3DGAT1ATRBRD4CREBBP
SCHEMBL2278452 0.87 DGAT1 (0.36) JAK3JAK2DGAT1ATRBRD4
SCHEMBL2281494 0.87 PRKCI (0.40) JAK2DGAT1WNT1GSK3BDYRK1A
SCHEMBL2278217 0.86 LCK (0.38) JAK2DGAT1ATRBRD4
SCHEMBL2275367 0.86 DGAT1 (0.35) DGAT1
SCHEMBL2278197 0.86 DGAT1 (0.35) DGAT1ATRBRD4CREBBP
SCHEMBL2273028 0.85 DGAT1 (0.36) JAK3DGAT1ATRBRD4CREBBP

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 7 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
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
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
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 JAK3 7/4885JAK2 4/4885DGAT1 4740/4885

“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.