SCHEMBL2276876

SCHEMBL2276876

COc1ccc(-c2cnc3[nH]cc(C(=O)NC4CCN(C(C)=O)CC4)c3n2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.59
CYP2C9 P11712 1/20 0.52
PDE4B Q07343 6/20 0.49
JAK3 P52333 6/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
MAP4K1 Q92918 1/20 0.48
HPGDS O60760 1/20 0.46
KDM5B Q9UGL1 1/20 0.44
NEK2 P51955 1/20 0.43
MAP3K11 Q16584 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
SCHEMBL2274828 0.95 SYK (0.57) SYKCYP2C9PDE4BJAK3JAK2
SCHEMBL2279703 0.89 SYK (0.65) SYKCYP2C9PDE4BJAK3JAK2
SCHEMBL2276397 0.88 SYK (0.59) SYKCYP2C9PDE4BJAK3JAK2
SCHEMBL2279898 0.87 SYK (0.62) SYKCYP2C9PDE4BJAK3JAK2
SCHEMBL2274045 0.86 SYK (0.61) SYKCYP2C9PDE4BJAK3JAK2
SCHEMBL2275268 0.84 SYK (0.61) SYKCYP2C9PDE4BJAK3JAK2
Hydrochloric Acid SCHEMBL2275144 0.83 SYK (0.60) SYKCYP2C9PDE4BJAK3JAK2
SCHEMBL2343170 0.82 KDM5B (0.48) SYKJAK3JAK2JAK1MAP4K1
SCHEMBL2275282 0.80 SYK (0.65) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL1353074 0.79 JAK3 (0.61) JAK3JAK2JAK1

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 3511/4885PDE4B 1995/4885

“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.