SCHEMBL652225

SCHEMBL652225

CC(C)CC(=O)c1c[nH]c2ncc(Br)nc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
JAK2 O60674 15/20 0.43
JAK1 P23458 15/20 0.43
JAK3 P52333 15/20 0.43
SYK P43405 3/20 0.39
CYP2C9 P11712 1/20 0.38
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38

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
SCHEMBL2282167 0.84 JAK2 (0.43) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL12441730 0.84 JAK3 (0.43) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL14737585 0.80 MAPK1 (0.51) MAPK1JAK2JAK1JAK3SYK
SCHEMBL14737936 0.80 JAK3 (0.65) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL2274537 0.79 SYK (0.48) MAPK1JAK2JAK1JAK3SYK
SCHEMBL31070113 0.78 MEN1 (0.48) MAPK1JAK2JAK3
SCHEMBL21678501 0.78 MEN1 (0.48) MAPK1JAK2JAK3
SCHEMBL14655543 0.78 MAPK1 (0.56) MAPK1JAK2JAK1JAK3SYK
SCHEMBL31070091 0.78 MAPK1 (0.56) MAPK1JAK2JAK1JAK3SYK
SCHEMBL14737723 0.77 MAPK1 (0.48) MAPK1JAK2JAK1JAK3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US claimed
EP-2247593-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-10 EP claimed
EP-2247593-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP claimed
WO-2009106444-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US claimed
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US disclosed
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US disclosed
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US disclosed
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
EP-2247593-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-2247593-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP 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-2009106444-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
WO-2009106444-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215785-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 (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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 MAPK1 386/4885JAK2 4/4885JAK1 5/4885
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 MAPK1 431/4885JAK2 3/4885JAK1 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.