SCHEMBL2277142

SCHEMBL2277142

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.51
POLB P06746 1/20 0.46
MAP4K1 Q92918 2/20 0.44
CHEK1 O14757 1/20 0.40
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SYK P43405 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL2279135 0.90 JAK3 (0.51) JAK3POLBSYK
SCHEMBL2281944 0.88 JAK3 (0.55) JAK3MAP4K1SYK
SCHEMBL2281238 0.87 JAK3 (0.52) JAK3MAP4K1SYK
SCHEMBL2275117 0.86 JAK3 (0.54) JAK3MAP4K1SYK
SCHEMBL2276012 0.84 JAK3 (0.50) JAK3MAP4K1SYK
SCHEMBL27801757 0.84 JAK3 (0.50) JAK3MAP4K1SYK
SCHEMBL2277265 0.84 JAK3 (0.50) JAK3MAP4K1SYK
SCHEMBL2275363 0.83 JAK3 (0.49) JAK3MAP4K1JAK2
SCHEMBL2343021 0.82 JAK3 (0.48) JAK3MAP4K1SYK
Tert-Butyl Formate SCHEMBL27801758 0.80 JAK3 (0.50) JAK3MAP4K1SYK

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 13 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
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US claimed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP 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-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP 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
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 7/4885POLB 1500/4885MAP4K1 462/4885

“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.