SCHEMBL2277878

SCHEMBL2277878

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

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.76
CYP2C9 P11712 1/20 0.76
JAK2 O60674 1/20 0.57
JAK1 P23458 1/20 0.57
JAK3 P52333 1/20 0.57
NEK2 P51955 6/20 0.55
MAP3K11 Q16584 5/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
BRD4 O60885 1/20 0.43
PDGFRB P09619 2/20 0.43
PLK1 P53350 1/20 0.43
NEK1 Q96PY6 1/20 0.43
ADORA3 P0DMS8 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
SCHEMBL2279926 0.91 SYK (0.76) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2279888 0.88 SYK (0.73) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2282760 0.88 SYK (0.69) SYKCYP2C9NEK2MAP3K11KDM4E
SCHEMBL2277584 0.87 SYK (0.78) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277349 0.87 SYK (0.72) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275541 0.87 SYK (0.68) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277590 0.86 SYK (0.70) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275239 0.86 SYK (0.70) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2280040 0.86 SYK (1.00) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277066 0.86 SYK (0.67) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101952295-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-11-20 CN claimed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US claimed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP claimed
CN-102803265-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2012-11-28 CN claimed
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
CN-101952295-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2011-01-19 CN 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
CN-101952295-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-11-20 CN disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
CN-102803265-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2012-11-28 CN disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO 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 (2 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK SYK 1/4885CYP2C9 3741/4885JAK2 5/4885
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.