SCHEMBL2274879

SCHEMBL2274879

CC(C)(C)OC(=O)NC1CCN(Cc2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.47
SCN9A Q15858 1/20 0.44
ROCK2 O75116 1/20 0.41
DRD2 P14416 5/20 0.41
DRD4 P21917 5/20 0.41
JAK1 P23458 5/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
JAK2 O60674 3/20 0.40
PARP1 P09874 1/20 0.40
TYK2 P29597 1/20 0.40
NPY5R Q15761 3/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL13689489 0.94 JAK3 (0.48) JAK3DRD2DRD4JAK1JAK2
SCHEMBL12401710 0.91 DRD2 (0.41) JAK3SCN9AROCK2DRD2DRD4
SCHEMBL2275248 0.89 JAK3 (0.50) JAK3DRD2DRD4JAK1JAK2
SCHEMBL12402511 0.87 JAK3 (0.50) JAK3DRD2DRD4JAK1JAK2
SCHEMBL2275838 0.86 JAK3 (0.48) JAK3ROCK2DRD2DRD4JAK1
SCHEMBL2280391 0.86 JAK3 (0.51) JAK3ROCK2JAK1JAK2TYK2
SCHEMBL2277617 0.85 JAK3 (0.49) JAK3JAK1JAK2TYK2
SCHEMBL2277369 0.85 JAK3 (0.51) JAK3JAK1JAK2TYK2
SCHEMBL2279633 0.84 JAK3 (0.50) JAK3JAK1JAK2TYK2
SCHEMBL2279799 0.84 JAK3 (0.51) JAK3JAK2

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 7/4885SCN9A 4333/4885ROCK2 367/4885

“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.