SCHEMBL2378035

SCHEMBL2378035

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.44
JAK3 P52333 5/20 0.44
JAK1 P23458 4/20 0.44
DGAT1 O75907 5/20 0.34
HTR2A P28223 1/20 0.33
MAPK1 P28482 2/20 0.32
PRMT3 O60678 2/20 0.31
CYP2D6 P10635 1/20 0.31
CCR3 P51677 1/20 0.31
LMNA P02545 1/20 0.30
CSF1R P07333 1/20 0.30
FLT3 P36888 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
SCHEMBL2378212 0.93 JAK2 (0.45) JAK2JAK3JAK1DGAT1MAPK1
SCHEMBL2377355 0.88 JAK2 (0.59) JAK2JAK3JAK1DGAT1MAPK1
SCHEMBL2376964 0.87 JAK2 (0.37) JAK2JAK3JAK1DGAT1CCR3
SCHEMBL2377463 0.87 JAK2 (0.41) JAK2JAK3JAK1DGAT1PRMT3
SCHEMBL2377057 0.86 JAK2 (0.42) JAK2JAK3JAK1
SCHEMBL2377262 0.86 CYP2C9 (0.37) JAK2JAK3JAK1DGAT1HTR2A
SCHEMBL2377365 0.85 JAK2 (0.39) JAK2JAK3JAK1DGAT1MAPK1
SCHEMBL2378883 0.85 CYP2C9 (0.46)
SCHEMBL2375778 0.83 JAK2 (0.40) JAK2JAK3JAK1DGAT1MAPK1
SCHEMBL2376854 0.83 BRD4 (0.38) JAK2DGAT1MAPK1

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.