SCHEMBL2279247

SCHEMBL2279247

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(CN4CCC(CO)CC4)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.51
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
SYK P43405 2/20 0.40
CHRM2 P08172 1/20 0.40
JAK1 P23458 2/20 0.40
CHRM4 P08173 5/20 0.39
FAAH O00519 1/20 0.39
MAP4K4 O95819 1/20 0.39
CYP2D6 P10635 1/20 0.39
ATR Q13535 1/20 0.38
CNR2 P34972 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL2279633 0.95 JAK3 (0.50) JAK3HSP90AA1HSP90AB1SYKCHRM2
SCHEMBL13689491 0.94 JAK3 (0.52) JAK3CHRM2JAK1CHRM4FAAH
SCHEMBL2277420 0.89 JAK3 (0.53) JAK3SYKCYP2D6CNR2
SCHEMBL2277867 0.89 JAK3 (0.51) JAK3SYKCHRM2JAK1FAAH
SCHEMBL2274049 0.89 JAK3 (0.52) JAK3CHRM2MAP4K4CNR2
SCHEMBL2280094 0.89 JAK3 (0.52) JAK3SYKCYP2D6CNR2
SCHEMBL2277738 0.89 JAK3 (0.49) JAK3CHRM2CHRM4
SCHEMBL2280391 0.88 JAK3 (0.51) JAK3JAK1CNR2MCHR1
SCHEMBL2279904 0.88 JAK3 (0.51) JAK3SYKJAK1CYP2D6
SCHEMBL12402545 0.87 HSP90AA1 (0.40) JAK3HSP90AA1HSP90AB1SYKCHRM2

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 JAK3 7/4885HSP90AA1 2854/4885HSP90AB1 2517/4885

“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.