SCHEMBL2277369

SCHEMBL2277369

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(CN4CCC(N)C4)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.51
PRKACA P17612 3/20 0.46
PRKACG P22612 3/20 0.46
PRKACB P22694 3/20 0.46
JAK1 P23458 7/20 0.38
JAK2 O60674 6/20 0.38
TYK2 P29597 5/20 0.38
KDM1A O60341 1/20 0.37
CYP2D6 P10635 1/20 0.37
SYK P43405 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
WDR5 P61964 1/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL2280391 0.91 JAK3 (0.51) JAK3JAK1JAK2TYK2CNR2
SCHEMBL2279633 0.89 JAK3 (0.50) JAK3JAK1JAK2TYK2CYP2D6
SCHEMBL2275248 0.89 JAK3 (0.50) JAK3JAK1JAK2TYK2
SCHEMBL2277617 0.89 JAK3 (0.49) JAK3JAK1JAK2TYK2SYK
SCHEMBL2279799 0.89 JAK3 (0.51) JAK3JAK2WDR5AXLMERTK
SCHEMBL13689491 0.88 JAK3 (0.52) JAK3JAK1CNR2
SCHEMBL2277738 0.88 JAK3 (0.49) JAK3
SCHEMBL12402508 0.88 PRKACA (0.45) JAK3PRKACAPRKACGPRKACBJAK1
SCHEMBL2279247 0.87 JAK3 (0.51) JAK3JAK1CYP2D6SYKCNR2
SCHEMBL12402511 0.87 JAK3 (0.50) JAK3JAK1JAK2TYK2

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 11 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
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US 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
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 7/4885PRKACA 217/4885PRKACG 269/4885

“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.