SCHEMBL2275474

SCHEMBL2275474

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(CN4CCC[C@H]4CO)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.50
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CD274 Q9NZQ7 5/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SPHK1 Q9NYA1 6/20 0.39
SPHK2 Q9NRA0 4/20 0.39
PDCD1 Q15116 3/20 0.39
MCHR1 Q99705 1/20 0.39
SYK P43405 2/20 0.39
KCNH2 Q12809 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
SCHEMBL2275307 1.00 JAK3 (0.50) JAK3HSP90AA1HSP90AB1CD274MEN1
SCHEMBL2275297 1.00 JAK3 (0.50) JAK3HSP90AA1HSP90AB1CD274MEN1
SCHEMBL2280314 0.91 JAK3 (0.48) JAK3CD274PDCD1SYK
SCHEMBL2280305 0.91 JAK3 (0.48) JAK3CD274PDCD1SYK
SCHEMBL2278701 0.91 JAK3 (0.51) JAK3SYKKCNH2
SCHEMBL2273819 0.90 JAK3 (0.51) JAK3SYKKCNH2
SCHEMBL2273811 0.90 JAK3 (0.51) JAK3SYKKCNH2
SCHEMBL2277411 0.88 JAK3 (0.49) JAK3CD274SPHK1PDCD1SYK
SCHEMBL2278523 0.88 JAK3 (0.49) JAK3CD274SPHK1PDCD1SYK
SCHEMBL12372305 0.88 JAK3 (0.49) JAK3SYK

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
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
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 7/4885HSP90AA1 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.