SCHEMBL2379768

SCHEMBL2379768

C[Si](C)(C)CCOCn1ccc2nc(NC(=O)NCCC3CCCCN3S(C)(=O)=O)cnc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
JAK2 O60674 3/20 0.34
JAK3 P52333 3/20 0.34
JAK1 P23458 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL2378469 0.98 JAK2 (0.36) RAB9ANPC1IRAK4JAK2JAK3
SCHEMBL2378283 0.92 JAK2 (0.35) RAB9ANPC1JAK2JAK3JAK1
SCHEMBL2378996 0.90 JAK2 (0.37) RAB9ANPC1JAK2JAK3JAK1
SCHEMBL2377584 0.88 CHEK2 (0.36) RAB9ANPC1IRAK4JAK2JAK3
SCHEMBL2378303 0.87 NPC1 (0.33) RAB9ANPC1L3MBTL1
SCHEMBL2376248 0.85 JAK2 (0.42) JAK2JAK3JAK1
SCHEMBL2378019 0.85 CHEK2 (0.35) RAB9ANPC1IRAK4JAK2JAK3
SCHEMBL2377057 0.85 JAK2 (0.42) JAK2JAK3JAK1
SCHEMBL2378441 0.85 DGAT1 (0.32) RAB9ANPC1JAK2JAK3JAK1
SCHEMBL2378164 0.85 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102232076-A Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2011-11-02 CN disclosed
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 RAB9A 2557/4885NPC1 4394/4885IRAK4 29/4885

“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.