SCHEMBL2274045

SCHEMBL2274045

COc1ccc(-c2cnc3[nH]cc(C(=O)NC4CCOCC4)c3n2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.61
PDE4B Q07343 6/20 0.61
CYP2C9 P11712 1/20 0.54
MAP4K1 Q92918 2/20 0.48
IL2 P60568 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
GAK O14976 3/20 0.45
NPC1 O15118 1/20 0.45
STK17B O94768 2/20 0.45
STK17A Q9UEE5 1/20 0.45
AAK1 Q2M2I8 1/20 0.44
HPGDS O60760 1/20 0.43

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
SCHEMBL2279703 0.92 SYK (0.65) SYKPDE4BCYP2C9MAP4K1JAK2
SCHEMBL2275553 0.91 SYK (0.67) SYKPDE4BCYP2C9JAK2JAK1
SCHEMBL2279898 0.90 SYK (0.62) SYKPDE4BCYP2C9MAP4K1JAK2
SCHEMBL2276876 0.86 SYK (0.59) SYKPDE4BCYP2C9MAP4K1JAK2
SCHEMBL2346422 0.86 PDE4B (0.51) SYKPDE4BCYP2C9MAP4K1IL2
SCHEMBL2275268 0.86 SYK (0.61) SYKPDE4BCYP2C9MAP4K1JAK2
SCHEMBL2276501 0.85 SYK (0.65) SYKPDE4BCYP2C9JAK2JAK1
Hydrochloric Acid SCHEMBL2275144 0.85 SYK (0.60) SYKPDE4BCYP2C9MAP4K1JAK2
SCHEMBL2276397 0.85 SYK (0.59) SYKPDE4BCYP2C9MAP4K1IL2
SCHEMBL2274828 0.83 SYK (0.57) SYKPDE4BCYP2C9MAP4K1JAK2

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 1/4885PDE4B 1995/4885CYP2C9 3511/4885

“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.