SCHEMBL2280573

SCHEMBL2280573

CCCNC(=O)c1c[nH]c2ncc(-c3ccc(OC)cc3OC)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.49
CYP2C9 P11712 1/20 0.48
ADORA3 P0DMS8 4/20 0.46
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA2 P47869 2/20 0.45
HDAC3 O15379 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC9 Q9UKV0 5/20 0.44
HDAC5 Q9UQL6 5/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 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
SCHEMBL2278200 0.92 SYK (0.52) SYKCYP2C9ADORA3GABRG2GABRB3
SCHEMBL2275868 0.87 SYK (0.49) SYKCYP2C9ADORA3GABRG2GABRB3
SCHEMBL2280570 0.85 SYK (0.67) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277244 0.84 SYK (0.51) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2279636 0.84 SYK (0.51) SYKCYP2C9HDAC1HDAC6POLB
SCHEMBL2279046 0.83 SYK (0.69) SYKCYP2C9HDAC3HDAC4HDAC1
SCHEMBL2280050 0.81 SYK (0.73) SYKCYP2C9HDAC3HDAC4HDAC1
SCHEMBL2280600 0.78 SYK (0.45) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275885 0.78 JAK3 (0.41) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL1370770 0.78 JAK3 (0.62) SYKJAK2JAK1JAK3KDM4E

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-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
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-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 3511/4885ADORA3 4482/4885

“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.