SCHEMBL2376698

SCHEMBL2376698

C[Si](C)(C)CCOCn1ccc2nc(NC(=O)NC3CCCN(S(=O)(=O)C4CC4)C3)cnc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.51
JAK3 P52333 13/20 0.51
JAK1 P23458 9/20 0.51
MAPK1 P28482 3/20 0.33
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 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
SCHEMBL2377347 0.95 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL2376192 0.95 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL2375851 0.95 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL2378984 0.94 JAK2 (0.54) JAK2JAK3JAK1MAPK1GUCY1B2
SCHEMBL2377037 0.92 JAK2 (0.55) JAK2JAK3JAK1
SCHEMBL2475996 0.92 JAK2 (0.51) JAK2JAK3JAK1MAPK1GUCY1B2
SCHEMBL2377791 0.92 JAK2 (0.50) JAK2JAK3JAK1MAPK1
SCHEMBL2376291 0.91 JAK2 (0.48) JAK2JAK3JAK1MAPK1GUCY1B2
SCHEMBL2376797 0.91 JAK2 (0.61) JAK2JAK3JAK1
SCHEMBL2377311 0.91 JAK2 (0.61) 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.