SCHEMBL1889485

SCHEMBL1889485

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cc(C(=O)NC4CCOCC4)cs3)nc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.41
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
KDM1A O60341 3/20 0.38
MAOA P21397 2/20 0.38
SYK P43405 4/20 0.37
HPGDS O60760 1/20 0.37
RCOR1 Q9UKL0 2/20 0.37
ATR Q13535 1/20 0.37
EIF4E P06730 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
SCHEMBL2347007 0.86 JAK3 (0.40) JAK3JAK2JAK1SYK
SCHEMBL1892114 0.84 JAK3 (0.42) JAK3JAK2JAK1SYK
SCHEMBL1896043 0.81 JAK3 (0.45) JAK3SYK
SCHEMBL2350362 0.79 JAK3 (0.41) JAK3JAK2JAK1SYK
SCHEMBL1893304 0.79 JAK3 (0.43) JAK3SYK
SCHEMBL1889358 0.78 JAK3 (0.45) JAK3JAK2JAK1SYK
SCHEMBL1891077 0.78 JAK3 (0.44) JAK3JAK2JAK1SYK
SCHEMBL1895471 0.77 JAK3 (0.46) JAK3JAK2JAK1SYK
SCHEMBL1893216 0.76 JAK3 (0.44) JAK3JAK2JAK1
SCHEMBL2273907 0.76 JAK3 (0.55) JAK3ATR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US claimed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 JAK3 7/4885JAK2 3/4885JAK1 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.