SCHEMBL2378282

SCHEMBL2378282

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.42
JAK3 P52333 12/20 0.42
JAK1 P23458 7/20 0.38
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
MAPK1 P28482 1/20 0.35
PIK3CB P42338 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
PIK3CG P48736 1/20 0.34
ATR Q13535 1/20 0.34
USP30 Q70CQ3 1/20 0.34
MAPK3 P27361 1/20 0.34

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
SCHEMBL2378300 1.00 JAK2 (0.42) JAK2JAK3JAK1PIK3CAMTOR
SCHEMBL2378601 1.00 JAK2 (0.42) JAK2JAK3JAK1PIK3CAMTOR
SCHEMBL2377450 0.95 JAK2 (0.48) JAK2JAK3JAK1PIK3CAMTOR
SCHEMBL2379481 0.95 JAK2 (0.45) JAK2JAK3JAK1PIK3CAMTOR
SCHEMBL2378493 0.94 JAK2 (0.46) JAK2JAK3JAK1PIK3CAMTOR
Ethylenediamine SCHEMBL2377655 0.93 JAK2 (0.46) JAK2JAK3JAK1MAPK1USP30
SCHEMBL2378005 0.93 JAK2 (0.50) JAK2JAK3JAK1
SCHEMBL2375958 0.93 JAK2 (0.50) JAK2JAK3JAK1
SCHEMBL2375949 0.93 JAK2 (0.50) JAK2JAK3JAK1
SCHEMBL2377173 0.92 USP30 (0.43) JAK2JAK3JAK1PIK3CAMTOR

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 2/4885JAK1 1/4885

“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.