SCHEMBL2280862

SCHEMBL2280862

CC(C)(C)CC(=O)c1c[nH]c2ncc(-c3cccc(CN4CCOCC4)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
CNR2 P34972 5/20 0.46
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.42
JAK3 P52333 5/20 0.42
TYK2 P29597 2/20 0.42
WDR5 P61964 1/20 0.42
KMT2A Q03164 1/20 0.42
CHEK1 O14757 1/20 0.42
CYP2C9 P11712 1/20 0.41
SYK P43405 1/20 0.41
KCNH2 Q12809 1/20 0.41
CNR1 P21554 2/20 0.41
PIK3CD O00329 1/20 0.41
KIT P10721 1/20 0.40
MAP4K4 O95819 1/20 0.40
ACVR1 Q04771 1/20 0.40

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
SCHEMBL2279219 0.86 ATR (0.48) JAK2JAK3CYP2C9SYKKCNH2
SCHEMBL3393997 0.81 CHEK1 (0.43) PARP1CNR2JAK2JAK1JAK3
SCHEMBL2277420 0.81 JAK3 (0.53) PARP1CNR2JAK2JAK3CYP2C9
SCHEMBL2280094 0.80 JAK3 (0.52) PARP1CNR2JAK3CYP2C9SYK
SCHEMBL2279904 0.80 JAK3 (0.51) PARP1JAK2JAK1JAK3TYK2
SCHEMBL2281146 0.79 JAK3 (0.44) JAK2JAK1JAK3CYP2C9SYK
SCHEMBL13689491 0.79 JAK3 (0.52) PARP1CNR2JAK1JAK3
SCHEMBL2279247 0.79 JAK3 (0.51) CNR2JAK1JAK3SYKMAP4K4
SCHEMBL2274049 0.78 JAK3 (0.52) PARP1CNR2JAK2JAK3WDR5
SCHEMBL2277867 0.78 JAK3 (0.51) CNR2JAK2JAK1JAK3TYK2

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 12 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 claimed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US claimed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
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
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 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
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 PARP1 664/4885CNR2 2896/4885JAK2 4/4885

“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.