SCHEMBL2275636

SCHEMBL2275636

C=CCN(CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cc(OC)c(OC)c(OC)c3)nc12)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.50
CYP2C9 P11712 1/20 0.50
JAK3 P52333 5/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
BTK Q06187 1/20 0.40
ITK Q08881 1/20 0.40
PKM P14618 1/20 0.39
MAP3K11 Q16584 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
UBE2I P63279 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
TYK2 P29597 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
NEK2 P51955 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL2276559 0.83 BTK (0.41) SYKCYP2C9JAK3JAK2BTK
SCHEMBL12372413 0.83 JAK3 (0.36) SYKJAK3JAK2JAK1BTK
SCHEMBL2277040 0.82 SYK (0.62) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2273334 0.80 SYK (0.60) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2281245 0.78 SYK (0.65) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2275328 0.78 SYK (0.64) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2274716 0.78 SYK (0.67) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2280685 0.78 SYK (0.67) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2279864 0.77 SYK (0.63) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2275089 0.77 SYK (0.66) SYKCYP2C9JAK3JAK2JAK1

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 9 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 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

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 SYK 1/4885CYP2C9 3511/4885JAK3 7/4885

“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.