SCHEMBL2279703

SCHEMBL2279703

COc1ccc(-c2cnc3[nH]cc(C(=O)NC4CCC4)c3n2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.65
CYP2C9 P11712 1/20 0.59
PDE4B Q07343 6/20 0.54
NPC1 O15118 1/20 0.49
STK17B O94768 3/20 0.49
STK17A Q9UEE5 1/20 0.49
JAK3 P52333 3/20 0.48
JAK2 O60674 2/20 0.48
JAK1 P23458 2/20 0.48
MAP4K1 Q92918 1/20 0.48
AAK1 Q2M2I8 3/20 0.47
CFTR P13569 1/20 0.46

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
SCHEMBL2279898 0.92 SYK (0.62) SYKCYP2C9PDE4BNPC1STK17B
SCHEMBL2274045 0.92 SYK (0.61) SYKCYP2C9PDE4BNPC1STK17B
SCHEMBL2276876 0.89 SYK (0.59) SYKCYP2C9PDE4BJAK3JAK2
SCHEMBL2275268 0.89 SYK (0.61) SYKCYP2C9PDE4BSTK17BSTK17A
Hydrochloric Acid SCHEMBL2275144 0.88 SYK (0.60) SYKCYP2C9PDE4BSTK17BSTK17A
SCHEMBL2276397 0.87 SYK (0.59) SYKCYP2C9PDE4BJAK3JAK2
SCHEMBL2277071 0.87 SYK (0.59) SYKCYP2C9PDE4BSTK17BSTK17A
SCHEMBL2274828 0.86 SYK (0.57) SYKCYP2C9PDE4BJAK3JAK2
SCHEMBL2343891 0.85 SYK (0.52) SYKCYP2C9PDE4BNPC1STK17B
SCHEMBL2279041 0.85 SYK (0.83) SYKCYP2C9JAK3JAK2JAK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101952295-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-11-20 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
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
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.