SCHEMBL2378562

SCHEMBL2378562

COC[C@@H]1CCC[C@@H](NC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.39
BACE1 P56817 4/20 0.39
JAK2 O60674 12/20 0.37
JAK3 P52333 11/20 0.37
JAK1 P23458 8/20 0.37
DGAT1 O75907 2/20 0.33

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
SCHEMBL2378557 1.00 CTSD (0.39) CTSDBACE1JAK2JAK3JAK1
SCHEMBL2378566 1.00 CTSD (0.39) CTSDBACE1JAK2JAK3JAK1
SCHEMBL2377001 0.92 CTSD (0.39) CTSDBACE1JAK2JAK3JAK1
SCHEMBL2379412 0.89 JAK2 (0.41) CTSDBACE1JAK2JAK3JAK1
SCHEMBL2377659 0.88 JAK2 (0.48) CTSDBACE1JAK2JAK3JAK1
SCHEMBL2377198 0.86 JAK2 (0.37) CTSDBACE1JAK2JAK3JAK1
SCHEMBL2377069 0.85 DGAT1 (0.38) CTSDBACE1JAK2JAK3JAK1
SCHEMBL2378550 0.85 JAK2 (0.36) CTSDBACE1JAK2JAK3JAK1
SCHEMBL2502754 0.85 JAK2 (0.36) CTSDBACE1JAK2JAK3JAK1
SCHEMBL2502761 0.85 JAK2 (0.36) CTSDBACE1JAK2JAK3JAK1

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 CTSD 2128/4885BACE1 4725/4885JAK2 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.