SCHEMBL2277832

SCHEMBL2277832

CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc4c(n3)c(C(=O)C(C)(C)C)cn4COCC[Si](C)(C)C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
PDE4D Q08499 1/20 0.39
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
KIT P10721 2/20 0.37
MAPT P10636 1/20 0.37
PIK3CA P42336 1/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
PTK2 Q05397 1/20 0.36
WNT3A P56704 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
VCP P55072 1/20 0.35
ATR Q13535 1/20 0.35
RET P07949 1/20 0.35
MAPK1 P28482 1/20 0.35
TLR9 Q9NR96 1/20 0.35

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
SCHEMBL2275367 0.91 DGAT1 (0.35) MAPTMAPK1
SCHEMBL2278153 0.90 JAK3 (0.35) ADORA2APDE4DJAK2JAK3ATR
SCHEMBL2273709 0.88 DGAT1 (0.40) JAK3ATR
SCHEMBL2278452 0.88 DGAT1 (0.36) JAK2JAK3ATR
SCHEMBL2281494 0.88 PRKCI (0.40) JAK2
SCHEMBL2278217 0.88 LCK (0.38) MAPTPIK3CAJAK2ATRMAPK1
SCHEMBL2272747 0.88 DGAT1 (0.38) JAK2JAK3PTK2
SCHEMBL2278197 0.87 DGAT1 (0.35) ATRMAPK1
SCHEMBL27822529 0.87 DGAT1 (0.34) JAK2JAK3ATR
SCHEMBL2273028 0.86 DGAT1 (0.36) JAK3ATR

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 5 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
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
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 ADORA2A 4090/4885PDE4D 1667/4885CKS1B 938/4885

“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.