SCHEMBL2276933

SCHEMBL2276933

CN(C1CCN(Cc2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)C1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.48
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
SCN1A P35498 6/20 0.37
SCN8A Q9UQD0 6/20 0.37
DDR1 Q08345 2/20 0.37
MAP4K4 O95819 1/20 0.36
NMT1 P30419 1/20 0.36
WNK1 Q9H4A3 1/20 0.36
BTK Q06187 1/20 0.36
ITK Q08881 1/20 0.36
ALOX15B O15296 1/20 0.36
WDR5 P61964 1/20 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
SCHEMBL2279799 0.92 JAK3 (0.51) JAK3AXLMERTKMAP4K4NMT1
SCHEMBL2274049 0.88 JAK3 (0.52) JAK3AXLMERTKMAP4K4WDR5
SCHEMBL2275838 0.86 JAK3 (0.48) JAK3
SCHEMBL2280391 0.86 JAK3 (0.51) JAK3ITK
SCHEMBL2277369 0.85 JAK3 (0.51) JAK3AXLMERTKWDR5
SCHEMBL2277738 0.85 JAK3 (0.49) JAK3
SCHEMBL2279633 0.84 JAK3 (0.50) JAK3
SCHEMBL2275248 0.84 JAK3 (0.50) JAK3
SCHEMBL2277617 0.84 JAK3 (0.49) JAK3
SCHEMBL13689491 0.83 JAK3 (0.52) JAK3

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 7/4885AXL 521/4885MERTK 172/4885

“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.