SCHEMBL2379264

SCHEMBL2379264

CC(C)(C)OC(=O)N1CCCC(NC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
JAK2 O60674 10/20 0.41
JAK3 P52333 9/20 0.41
HDAC4 P56524 2/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
USP30 Q70CQ3 2/20 0.39
JAK1 P23458 6/20 0.39
HDAC6 Q9UBN7 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL2376834 0.97 CA12 (0.44) EPHX1CA12CA1CA2CA9
SCHEMBL2378372 0.94 JAK2 (0.46) JAK2JAK3HDAC4USP30JAK1
SCHEMBL2379250 0.94 JAK2 (0.46) JAK2JAK3HDAC4USP30JAK1
SCHEMBL2376098 0.94 JAK2 (0.46) JAK2JAK3HDAC4USP30JAK1
SCHEMBL2377173 0.93 USP30 (0.43) CA12CA1CA2CA9JAK2
SCHEMBL2376948 0.93 USP30 (0.43) CA12CA1CA2CA9JAK2
SCHEMBL2376943 0.93 USP30 (0.43) CA12CA1CA2CA9JAK2
SCHEMBL2378101 0.93 JAK2 (0.43) JAK2JAK3PIK3CAMTORPIK3CG
SCHEMBL2376666 0.92 JAK2 (0.43) EPHX1JAK2JAK3HDAC4USP30
SCHEMBL2377266 0.90 JAK2 (0.51) EPHX1JAK2JAK3JAK1

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 EPHX1 3678/4885CA12 4797/4885CA1 4702/4885

“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.