SCHEMBL2376964

SCHEMBL2376964

C[Si](C)(C)CCOCn1ccc2nc(NC(=O)NCCC3CCCN3CC(F)(F)F)cnc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
DGAT1 O75907 4/20 0.33
CCR3 P51677 1/20 0.32
HTR2C P28335 1/20 0.31
MCHR1 Q99705 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 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
SCHEMBL2377611 0.90 JAK2 (0.36) JAK2JAK1JAK3DGAT1HTR2C
SCHEMBL2378035 0.87 JAK2 (0.44) JAK2JAK1JAK3DGAT1CCR3
SCHEMBL2378019 0.86 CHEK2 (0.35) JAK2JAK1JAK3DGAT1
SCHEMBL2378441 0.86 DGAT1 (0.32) JAK2JAK1JAK3DGAT1
SCHEMBL2378469 0.85 JAK2 (0.36) JAK2JAK1JAK3
SCHEMBL2378468 0.85 CHEK2 (0.38) JAK2JAK3
SCHEMBL2377584 0.84 CHEK2 (0.36) JAK2JAK3DGAT1
SCHEMBL2378303 0.84 NPC1 (0.33) DGAT1
SCHEMBL2379768 0.83 RAB9A (0.34) JAK2JAK1JAK3
SCHEMBL2378164 0.83 CHEK2 (0.39) JAK2JAK3

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 5/4885JAK1 1/4885JAK3 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.