SCHEMBL649853

SCHEMBL649853

CC(C)(Cc1ccccc1)C(=O)c1c[nH]c2ncc(Br)nc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
MAPK1 P28482 1/20 0.40
ADORA2A P29274 1/20 0.39
SYK P43405 10/20 0.39
AXL P30530 1/20 0.37
CYP2D6 P10635 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
SCHEMBL13689876 0.86 JAK3 (0.40) JAK3JAK2JAK1SYKAXL
SCHEMBL651340 0.80 MAPK1 (0.50) JAK3JAK2JAK1MAPK1SYK
SCHEMBL2274744 0.79 MAPK1 (0.42) JAK3JAK2JAK1MAPK1SYK
SCHEMBL2273334 0.77 SYK (0.60) JAK3JAK2JAK1SYK
SCHEMBL2280590 0.76 JAK3 (0.40) JAK3JAK2JAK1MAPK1
SCHEMBL12372413 0.75 JAK3 (0.36) JAK3JAK2JAK1SYK
SCHEMBL2273469 0.75 JAK3 (0.44) JAK3JAK2SYKCYP2D6
SCHEMBL14655543 0.74 MAPK1 (0.56) JAK3JAK2JAK1MAPK1SYK
SCHEMBL31070091 0.74 MAPK1 (0.56) JAK3JAK2JAK1MAPK1SYK
SCHEMBL1369911 0.74 MAPK1 (0.41) JAK3JAK2JAK1MAPK1SYK

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
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
EP-2247593-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-10 EP 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
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
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

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 JAK3 7/4885JAK2 4/4885JAK1 5/4885
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 JAK3 7/4885JAK2 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.