SCHEMBL12401426

SCHEMBL12401426

Bc1cnc2[nH]cc(C(=O)C(C)(C)C#N)c2n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
SYK P43405 2/20 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
SCHEMBL12402568 0.85 JAK3 (0.47) JAK3JAK2JAK1SYK
SCHEMBL12372398 0.85 MAPK1 (0.44) JAK3JAK2JAK1SYK
SCHEMBL12146892 0.79 JAK3 (0.71) JAK3JAK2JAK1SYK
SCHEMBL2275139 0.75 SYK (0.66) JAK3JAK2JAK1SYK
SCHEMBL2278304 0.71 JAK3 (0.51) JAK3JAK2JAK1SYK
SCHEMBL12441730 0.71 JAK3 (0.43) JAK3JAK2JAK1SYK
SCHEMBL2281190 0.70 JAK3 (0.50) JAK3JAK2JAK1SYK
SCHEMBL2281069 0.70 JAK3 (0.47) JAK3JAK2JAK1SYK
SCHEMBL650177 0.69 JAK3 (0.47) JAK3
SCHEMBL12440686 0.69 JAK3 (0.41) JAK3JAK2JAK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 7/4885JAK2 4/4885JAK1 5/4885

“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.