SCHEMBL2282182

SCHEMBL2282182

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cc(NS(=O)(=O)c4ccc(O)cc4)c4cc[nH]c4c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.42
HTR6 P50406 1/20 0.38
PIK3CD O00329 4/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
SYK P43405 8/20 0.35
CYP2C9 P11712 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35

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
SCHEMBL12761355 0.93 JAK3 (0.42) JAK3HTR6PIK3CDPIK3CAPIK3CB
SCHEMBL1636178 0.93 JAK3 (0.42) JAK3HTR6PIK3CDPIK3CAPIK3CB
SCHEMBL1635030 0.93 JAK3 (0.42) JAK3HTR6PIK3CDPIK3CAPIK3CB
SCHEMBL1634525 0.93 HTR6 (0.47) JAK3HTR6PIK3CDPIK3CAPIK3CB
SCHEMBL1635722 0.93 PIK3CD (0.45) JAK3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1633655 0.91 JAK3 (0.41) JAK3HTR6PIK3CDPIK3CAPIK3CB
SCHEMBL12761598 0.90 JAK3 (0.41) JAK3HTR6PIK3CDPIK3CAPIK3CB
SCHEMBL2275440 0.90 JAK3 (0.41) JAK3HTR6PIK3CDPIK3CAPIK3CB
SCHEMBL1635625 0.90 JAK3 (0.41) JAK3HTR6PIK3CDPIK3CAPIK3CB
SCHEMBL1634575 0.90 JAK3 (0.41) JAK3HTR6PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101952295-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-11-20 CN claimed
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
CN-101952295-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2011-01-19 CN 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
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 7/4885HTR6 4398/4885PIK3CD 163/4885

“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.