SCHEMBL2279286

SCHEMBL2279286

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCC(CN)C4)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.51
PIM1 P11309 6/20 0.42
BPTF Q12830 1/20 0.41
PIM2 Q9P1W9 2/20 0.40
CDK2 P24941 1/20 0.40
FLT4 P35916 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PRKCD Q05655 1/20 0.40
PAK1 Q13153 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
PRKCQ Q04759 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CYP2D6 P10635 1/20 0.37
SYK P43405 1/20 0.37
TOP1 P11387 1/20 0.36

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
SCHEMBL2275078 0.92 JAK3 (0.51) JAK3IRAK4CYP2D6SYK
SCHEMBL2275084 0.92 JAK3 (0.51) JAK3IRAK4CYP2D6SYK
SCHEMBL2275510 0.92 JAK3 (0.51) JAK3IRAK4CYP2D6SYK
SCHEMBL2276067 0.88 JAK3 (0.53) JAK3SYK
SCHEMBL2279056 0.88 JAK3 (0.53) JAK3CYP2D6SYK
SCHEMBL2274445 0.87 JAK3 (0.54) JAK3PIM1PIM2PRKCQ
SCHEMBL2279622 0.87 JAK3 (0.55) JAK3CYP2D6SYK
SCHEMBL2277323 0.86 JAK3 (0.46) JAK3CYP2D6SYK
SCHEMBL2273911 0.86 JAK3 (0.50) JAK3CYP2D6SYK
SCHEMBL2277250 0.86 JAK3 (0.53) JAK3

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 11 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
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US 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
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 (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 JAK3 7/4885PIM1 315/4885BPTF 2396/4885

“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.