SCHEMBL2378663

SCHEMBL2378663

C[Si](C)(C)CCOCn1ccc2nc(NC(=O)NCC3CCN(S(C)(=O)=O)C3)cnc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.41
JAK3 P52333 6/20 0.41
JAK1 P23458 5/20 0.39
NAMPT P43490 2/20 0.38
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IRAK1 P51617 2/20 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
SCHEMBL2377187 0.96 JAK2 (0.43) JAK2JAK3JAK1NAMPTMAPK1
SCHEMBL2377253 0.95 JAK2 (0.43) JAK2JAK3JAK1NAMPTALDH1A1
SCHEMBL2376248 0.90 JAK2 (0.42) JAK2JAK3JAK1NAMPTMAPK1
SCHEMBL2378232 0.88 JAK2 (0.51) JAK2JAK3JAK1ALDH1A1
SCHEMBL2378224 0.88 JAK2 (0.51) JAK2JAK3JAK1ALDH1A1
SCHEMBL2378230 0.88 JAK2 (0.51) JAK2JAK3JAK1ALDH1A1
SCHEMBL2377057 0.88 JAK2 (0.42) JAK2JAK3JAK1NAMPTALDH1A1
SCHEMBL2377327 0.87 BRD4 (0.42) MAPK1ALDH1A1L3MBTL1
SCHEMBL2379346 0.87 JAK2 (0.56) JAK2JAK3JAK1ALDH1A1
SCHEMBL2377685 0.86 JAK2 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US 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.