SCHEMBL2376098

SCHEMBL2376098

CC(C)(C)OC(=O)N1CCCC(NC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.46
JAK3 P52333 8/20 0.46
USP30 Q70CQ3 5/20 0.45
HDAC4 P56524 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
JAK1 P23458 6/20 0.42
PARP1 P09874 1/20 0.39
GABRA5 P31644 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
MAPK1 P28482 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
SCHEMBL2379250 1.00 JAK2 (0.46) JAK2JAK3USP30HDAC4HDAC6
SCHEMBL2378372 1.00 JAK2 (0.46) JAK2JAK3USP30HDAC4HDAC6
SCHEMBL2376666 0.98 JAK2 (0.43) JAK2JAK3USP30HDAC4HDAC6
SCHEMBL2377173 0.95 USP30 (0.43) JAK2JAK3USP30HDAC4HDAC6
SCHEMBL2376948 0.95 USP30 (0.43) JAK2JAK3USP30HDAC4HDAC6
SCHEMBL2376943 0.95 USP30 (0.43) JAK2JAK3USP30HDAC4HDAC6
SCHEMBL2379264 0.94 EPHX1 (0.42) JAK2JAK3USP30HDAC4HDAC6
SCHEMBL2377450 0.93 JAK2 (0.48) JAK2JAK3USP30HDAC4HDAC6
SCHEMBL2378010 0.91 JAK2 (0.47) JAK2JAK3USP30JAK1MAPK1
SCHEMBL2376834 0.91 CA12 (0.44) JAK2JAK3USP30HDAC4HDAC6

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 JAK2 5/4885JAK3 2/4885USP30 173/4885

“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.