SCHEMBL2345189

SCHEMBL2345189

CC1(C(=O)c2c[nH]c3ncc(-c4ccc(C(=O)O)s4)nc23)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.37
JAK3 P52333 5/20 0.36
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
CYP2D6 P10635 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL12449311 0.90 SYK (0.38) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL1891304 0.88 JAK3 (0.40) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL1895003 0.87 KDM4E (0.37) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL1889855 0.85 SYK (0.37) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL1893974 0.85 JAK3 (0.40) SYKJAK3JAK2JAK1CYP2C9
SCHEMBL1897088 0.85 SYK (0.34) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL1893368 0.85 JAK3 (0.38) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL1888983 0.85 SYK (0.36) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL1886895 0.85 KDM4E (0.41) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL1889949 0.85 SYK (0.35) SYKJAK3JAK2JAK1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP claimed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US claimed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 SYK 1/4885JAK3 7/4885JAK2 3/4885

“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.