SCHEMBL2376943

SCHEMBL2376943

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 9/20 0.43
HDAC4 P56524 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
JAK2 O60674 4/20 0.40
JAK3 P52333 3/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
JAK1 P23458 1/20 0.38
PARP1 P09874 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 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
SCHEMBL2376948 1.00 USP30 (0.43) USP30HDAC4HDAC6JAK2JAK3
SCHEMBL2377173 1.00 USP30 (0.43) USP30HDAC4HDAC6JAK2JAK3
SCHEMBL2376098 0.95 JAK2 (0.46) USP30HDAC4HDAC6JAK2JAK3
SCHEMBL2378372 0.95 JAK2 (0.46) USP30HDAC4HDAC6JAK2JAK3
SCHEMBL2379250 0.95 JAK2 (0.46) USP30HDAC4HDAC6JAK2JAK3
SCHEMBL2376834 0.95 CA12 (0.44) USP30HDAC4HDAC6JAK2JAK3
SCHEMBL2376666 0.95 JAK2 (0.43) USP30HDAC4HDAC6JAK2JAK3
SCHEMBL2379264 0.93 EPHX1 (0.42) USP30HDAC4HDAC6JAK2JAK3
SCHEMBL2378300 0.92 JAK2 (0.42) USP30JAK2JAK3JAK1PIK3CA
SCHEMBL2378282 0.92 JAK2 (0.42) USP30JAK2JAK3JAK1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 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-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 USP30 173/4885HDAC4 1625/4885HDAC6 1351/4885

“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.