SCHEMBL2277443

SCHEMBL2277443

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCCC4CO)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.51
SYK P43405 8/20 0.39
KCNH2 Q12809 1/20 0.39
CYP2D6 P10635 1/20 0.39
AOC3 Q16853 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CYP2C9 P11712 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
SCHEMBL2277592 1.00 JAK3 (0.51) JAK3SYKKCNH2CYP2D6AOC3
SCHEMBL2277435 1.00 JAK3 (0.51) JAK3SYKKCNH2CYP2D6AOC3
SCHEMBL2275307 0.85 JAK3 (0.50) JAK3SYKKCNH2
SCHEMBL2275297 0.85 JAK3 (0.50) JAK3SYKKCNH2
SCHEMBL2275474 0.85 JAK3 (0.50) JAK3SYKKCNH2
SCHEMBL2275510 0.83 JAK3 (0.51) JAK3SYKKCNH2CYP2D6IRAK4
SCHEMBL2275078 0.83 JAK3 (0.51) JAK3SYKKCNH2CYP2D6IRAK4
SCHEMBL2275084 0.83 JAK3 (0.51) JAK3SYKKCNH2CYP2D6IRAK4
SCHEMBL2278709 0.83 JAK3 (0.55) JAK3SYKKCNH2CYP2D6CYP2C9
SCHEMBL2278520 0.83 JAK3 (0.55) JAK3SYKKCNH2CYP2D6CYP2C9

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 8 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
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 JAK3 7/4885SYK 1/4885KCNH2 1799/4885

“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.