SCHEMBL2377057

SCHEMBL2377057

C[Si](C)(C)CCOCn1ccc2nc(NC(=O)NCCC3CCCN(S(C)(=O)=O)C3)cnc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.42
JAK3 P52333 6/20 0.42
JAK1 P23458 5/20 0.42
NAMPT P43490 1/20 0.36
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 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
SCHEMBL2377253 0.92 JAK2 (0.43) JAK2JAK3JAK1NAMPTKMT2A
SCHEMBL2376248 0.92 JAK2 (0.42) JAK2JAK3JAK1NAMPT
SCHEMBL2377463 0.89 JAK2 (0.41) JAK2JAK3JAK1CYP4F2CYP4A11
SCHEMBL2377262 0.88 CYP2C9 (0.37) JAK2JAK3JAK1
SCHEMBL2378663 0.88 JAK2 (0.41) JAK2JAK3JAK1NAMPTALDH1A1
SCHEMBL2378469 0.87 JAK2 (0.36) JAK2JAK3JAK1NAMPT
SCHEMBL2376192 0.87 JAK2 (0.57) JAK2JAK3JAK1POLB
SCHEMBL2375851 0.87 JAK2 (0.57) JAK2JAK3JAK1POLB
SCHEMBL2377347 0.87 JAK2 (0.57) JAK2JAK3JAK1POLB
SCHEMBL2378035 0.86 JAK2 (0.44) JAK2JAK3JAK1

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.