SCHEMBL2377463

SCHEMBL2377463

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.41
JAK3 P52333 5/20 0.41
CYP2C9 P11712 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
CHEK2 O96017 1/20 0.33
BRD4 O60885 2/20 0.33
CCNT1 O60563 4/20 0.32
JAK1 P23458 2/20 0.32
PRMT3 O60678 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL2377262 0.93 CYP2C9 (0.37) JAK2JAK3CYP2C9BRD4JAK1
SCHEMBL2377819 0.92 JAK2 (0.42) JAK2JAK3CYP4F2CYP4A11CHEK2
SCHEMBL2375778 0.91 JAK2 (0.40) JAK2JAK3CHEK2JAK1DGAT1
SCHEMBL2378883 0.91 CYP2C9 (0.46) CYP2C9CHEK2
SCHEMBL2377057 0.89 JAK2 (0.42) JAK2JAK3CYP4F2CYP4A11JAK1
SCHEMBL2378351 0.87 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL2376961 0.87 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL2376949 0.87 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL2378035 0.87 JAK2 (0.44) JAK2JAK3JAK1PRMT3DGAT1
SCHEMBL2378019 0.86 CHEK2 (0.35) JAK2JAK3CHEK2JAK1DGAT1

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 2/4885CYP2C9 3264/4885

“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.