SCHEMBL2279235

SCHEMBL2279235

COc1cccc(S(=O)(=O)Nc2cc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)cc3[nH]ccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.42
GLO1 Q04760 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
SYK P43405 4/20 0.38
CYP2C9 P11712 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
NR1H2 P55055 1/20 0.37
ALPL P05186 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
BTK Q06187 1/20 0.36
ITK Q08881 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 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
SCHEMBL1633655 0.92 JAK3 (0.41) JAK3GLO1SLC40A1SYKCYP2C9
SCHEMBL2271951 0.91 JAK3 (0.43) JAK3SYKPTGES2BTKITK
SCHEMBL1635722 0.90 PIK3CD (0.45) JAK3SYKCYP2C9BTKITK
SCHEMBL1634119 0.87 JAK3 (0.42) JAK3GLO1SLC40A1SYKCYP2C9
SCHEMBL12761355 0.86 JAK3 (0.42) JAK3SYKCYP2C9PIK3CDPIK3CA
SCHEMBL2282182 0.86 JAK3 (0.42) JAK3SYKCYP2C9PIK3CDPIK3CA
SCHEMBL1636178 0.85 JAK3 (0.42) JAK3SYKCYP2C9PIK3CDPIK3CA
SCHEMBL1634525 0.85 HTR6 (0.47) JAK3SYKCYP2C9PIK3CDPIK3CA
SCHEMBL1635030 0.85 JAK3 (0.42) JAK3SYKPIK3CDPIK3CAPIK3CB
SCHEMBL12761598 0.85 JAK3 (0.41) JAK3SYKCYP2C9BTKITK

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
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 7/4885GLO1 3952/4885SLC40A1 3933/4885

“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.