SCHEMBL1635722

SCHEMBL1635722

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cc(NS(=O)(=O)c4ccccc4)c4cc[nH]c4c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.45
PIK3CA P42336 8/20 0.45
PIK3CG P48736 7/20 0.45
PIK3CB P42338 6/20 0.45
JAK3 P52333 4/20 0.44
PIK3R1 P27986 3/20 0.41
CYP2C9 P11712 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
PI4KA P42356 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
BTK Q06187 1/20 0.37
ITK Q08881 1/20 0.37
SYK P43405 1/20 0.37

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) PIK3CDPIK3CAPIK3CGPIK3CBJAK3
SCHEMBL2282182 0.93 JAK3 (0.42) PIK3CDPIK3CAPIK3CGPIK3CBJAK3
SCHEMBL1634119 0.92 JAK3 (0.42) PIK3CDPIK3CAPIK3CGPIK3CBJAK3
SCHEMBL1635030 0.92 JAK3 (0.42) PIK3CDPIK3CAPIK3CGPIK3CBJAK3
SCHEMBL1634525 0.92 HTR6 (0.47) PIK3CDPIK3CAPIK3CGPIK3CBJAK3
SCHEMBL1636178 0.92 JAK3 (0.42) PIK3CDPIK3CAPIK3CGPIK3CBJAK3
SCHEMBL2271951 0.91 JAK3 (0.43) PIK3CDPIK3CAPIK3CGPIK3CBJAK3
SCHEMBL1633655 0.90 JAK3 (0.41) PIK3CDPIK3CAPIK3CGPIK3CBJAK3
SCHEMBL2279235 0.90 JAK3 (0.42) PIK3CDPIK3CAPIK3CGPIK3CBJAK3
SCHEMBL12761598 0.90 JAK3 (0.41) PIK3CDPIK3CAPIK3CGPIK3CBJAK3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101945877-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-07-03 CN claimed
EP-2247595-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-07-20 EP claimed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US claimed
CN-101945877-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2011-01-12 CN claimed
EP-2247595-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP claimed
WO-2009106445-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US claimed
CN-101945877-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-07-03 CN disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2247595-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US disclosed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US disclosed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US disclosed
EP-2247595-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106445-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
WO-2009106445-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215724-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 (2 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 PIK3CD 163/4885PIK3CA 293/4885PIK3CG 203/4885
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK1 PIK3CD 115/4885PIK3CA 238/4885PIK3CG 158/4885

“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.