SCHEMBL2280394

SCHEMBL2280394

CC(C)(C)OC(=O)NS(=O)(=O)N1CCN(c2cccc(-c3cnc4[nH]cc(C(=O)C5(C)CCCCC5)c4n3)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.35
SYK P43405 5/20 0.33
BTK Q06187 1/20 0.33
ITK Q08881 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAP4K1 Q92918 2/20 0.33
KCNH2 Q12809 1/20 0.32
PRKCI P41743 1/20 0.32
ADORA2A P29274 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
KIT P10721 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2277453 0.87 ADORA2A (0.42) JAK3ADORA2AKITMEN1KMT2A
SCHEMBL2275246 0.87 CYP2C9 (0.40) JAK3SYKCYP2C9MAP4K1PRKCI
SCHEMBL2276821 0.87 PRKCI (0.37) JAK3SYKBTKITKCYP2C9
SCHEMBL2346572 0.85 JAK3 (0.36) JAK3SYKCYP2C9MAP4K1KCNH2
SCHEMBL2275232 0.84 JAK3 (0.40) JAK3SYKCYP2C9MAP4K1KCNH2
SCHEMBL2275354 0.84 JAK3 (0.40) JAK3SYKCYP2C9MAP4K1KCNH2
SCHEMBL2278185 0.83 JAK3 (0.40) JAK3SYKCYP2C9MAP4K1KCNH2
SCHEMBL2277317 0.82 MAPT (0.40) ADORA2AKIT
SCHEMBL2274883 0.82 FLT3 (0.43) JAK3SYKCYP2C9PRKCIMEN1
SCHEMBL2277366 0.82 PRKCI (0.46) JAK3SYKCYP2C9PRKCI

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
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
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

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 7/4885SYK 1/4885BTK 6/4885

“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.