SCHEMBL2378019

SCHEMBL2378019

CC(=O)N1CCCC1CCNC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.35
JAK2 O60674 5/20 0.34
JAK3 P52333 4/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HCRTR2 O43614 2/20 0.31
HCRTR1 O43613 1/20 0.31
JAK1 P23458 3/20 0.31
DGAT1 O75907 2/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
GRIN2B Q13224 1/20 0.30
POLR1A O95602 1/20 0.30
LCK P06239 1/20 0.30

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
SCHEMBL2377584 0.98 CHEK2 (0.36) CHEK2JAK2JAK3IRAK4NPC1
SCHEMBL2378441 0.93 DGAT1 (0.32) CHEK2JAK2JAK3NPC1RAB9A
SCHEMBL2378129 0.92 JAK3 (0.35) CHEK2JAK2JAK3HCRTR2HCRTR1
SCHEMBL2378303 0.91 NPC1 (0.33) CHEK2NPC1RAB9ADGAT1
SCHEMBL2378468 0.90 CHEK2 (0.38) CHEK2JAK2JAK3
SCHEMBL2379002 0.90 HCRTR1 (0.34) CHEK2JAK2JAK3IRAK4HCRTR2
SCHEMBL2378164 0.88 CHEK2 (0.39) CHEK2JAK2JAK3
SCHEMBL2378469 0.88 JAK2 (0.36) JAK2JAK3IRAK4NPC1RAB9A
SCHEMBL2376964 0.86 JAK2 (0.37) JAK2JAK3JAK1DGAT1
SCHEMBL2377463 0.86 JAK2 (0.41) CHEK2JAK2JAK3JAK1DGAT1

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 CHEK2 439/4885JAK2 5/4885JAK3 2/4885

“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.