SCHEMBL2279633

SCHEMBL2279633

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(CN4CCC(CO)C4)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.50
CNR2 P34972 1/20 0.44
SYK P43405 2/20 0.39
PDCD1 Q15116 4/20 0.38
CD274 Q9NZQ7 4/20 0.38
CYP2D6 P10635 1/20 0.38
JAK1 P23458 2/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
CHRM2 P08172 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
LTA4H P09960 2/20 0.37
ACKR3 P25106 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL2279247 0.95 JAK3 (0.51) JAK3CNR2SYKCYP2D6JAK1
SCHEMBL2277738 0.92 JAK3 (0.49) JAK3CHRM2CHRM4
SCHEMBL13689491 0.91 JAK3 (0.52) JAK3CNR2JAK1CHRM2CHRM4
SCHEMBL2280391 0.90 JAK3 (0.51) JAK3CNR2PDCD1CD274JAK1
SCHEMBL2277369 0.89 JAK3 (0.51) JAK3CNR2SYKCYP2D6JAK1
SCHEMBL2275248 0.89 JAK3 (0.50) JAK3JAK1JAK2TYK2
SCHEMBL27945293 0.89 JAK3 (0.46) JAK3CNR2SYKJAK1JAK2
SCHEMBL2277617 0.88 JAK3 (0.49) JAK3SYKPDCD1CD274JAK1
SCHEMBL2279799 0.88 JAK3 (0.51) JAK3JAK2
SCHEMBL12402511 0.86 JAK3 (0.50) JAK3JAK1JAK2TYK2

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 13 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-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 7/4885CNR2 2896/4885SYK 1/4885

“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.