SCHEMBL1633775

SCHEMBL1633775

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc4[nH]ccc34)nc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.49
SYK P43405 3/20 0.43
CYP2D6 P10635 2/20 0.43
HPGDS O60760 2/20 0.40
DHPS P49366 1/20 0.39
PLCG1 P19174 1/20 0.39
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
ATR Q13535 1/20 0.38

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
SCHEMBL1892509 0.87 JAK3 (0.48) JAK3SYKCYP2D6
SCHEMBL1633955 0.86 JAK3 (0.48) JAK3SYKCYP2D6DHPS
SCHEMBL1635366 0.82 JAK3 (0.48) JAK3SYKCYP2D6PLCG1
SCHEMBL2281557 0.81 JAK3 (0.50) JAK3SYKCYP2D6
SCHEMBL1713048 0.81 JAK3 (0.50) JAK3SYKCYP2D6
SCHEMBL1635839 0.81 JAK3 (0.47) JAK3SYKCYP2D6
SCHEMBL2279172 0.80 JAK3 (0.49) JAK3SYKCYP2D6
SCHEMBL1887710 0.79 DYRK1A (0.50) JAK3SYK
SCHEMBL1900041 0.79 JAK3 (0.46) JAK3SYKCYP2D6
SCHEMBL1713150 0.78 JAK3 (0.49) JAK3SYKCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247595-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-07-20 EP claimed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US claimed
EP-2247595-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP claimed
WO-2009106445-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US claimed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2247595-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
EP-2247595-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US disclosed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US disclosed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US disclosed
EP-2247595-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
WO-2009106445-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
WO-2009106445-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215724-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 (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-20090215724-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK1 JAK3 7/4885SYK 1/4885CYP2D6 1878/4885

“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.