SCHEMBL2277141

SCHEMBL2277141

COc1cc(-c2cnc3[nH]cc(C(=O)NC4CCS(=O)(=O)C4)c3n2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.64
CYP2C9 P11712 1/20 0.64
JAK2 O60674 4/20 0.54
JAK1 P23458 3/20 0.54
JAK3 P52333 3/20 0.54
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDE4B Q07343 2/20 0.40
MAP3K11 Q16584 1/20 0.40
NEK2 P51955 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
GLA P06280 1/20 0.39
TYK2 P29597 1/20 0.39
POLB P06746 1/20 0.39
PTK2 Q05397 1/20 0.39
PLK1 P53350 1/20 0.38
NEK1 Q96PY6 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL2339118 0.87 SYK (0.51) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL12371986 0.86 SYK (0.69) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2280444 0.86 SYK (0.69) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275553 0.85 SYK (0.67) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2276501 0.83 SYK (0.65) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2273835 0.82 SYK (0.65) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2280040 0.78 SYK (1.00) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2279703 0.78 SYK (0.65) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277878 0.78 SYK (0.76) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2279926 0.78 SYK (0.76) SYKCYP2C9JAK2JAK1JAK3

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 8 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-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

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 3511/4885JAK2 4/4885

“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.