SCHEMBL2377254

SCHEMBL2377254

CCCS(=O)(=O)N1CCCC1CNC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.40
JAK3 P52333 6/20 0.40
JAK1 P23458 5/20 0.40
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
DGAT1 O75907 2/20 0.31
MAPK1 P28482 1/20 0.31
PIK3CA P42336 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
PAX8 Q06710 1/20 0.30
DUT P33316 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
SCHEMBL2377749 0.95 JAK2 (0.37) JAK2JAK3JAK1RAB9ANPC1
SCHEMBL2378996 0.91 JAK2 (0.37) JAK2JAK3JAK1RAB9ANPC1
SCHEMBL2375781 0.91 JAK2 (0.41) JAK2JAK3JAK1RAB9ANPC1
SCHEMBL2379462 0.89 JAK2 (0.34) JAK2JAK3JAK1RAB9ANPC1
SCHEMBL2378283 0.89 JAK2 (0.35) JAK2JAK3JAK1RAB9ANPC1
SCHEMBL2378129 0.85 JAK3 (0.35) JAK2JAK3JAK1DGAT1
SCHEMBL2378512 0.84 DPP4 (0.33) JAK2JAK3JAK1DGAT1
SCHEMBL2378469 0.84 JAK2 (0.36) JAK2JAK3JAK1RAB9ANPC1
SCHEMBL2376797 0.83 JAK2 (0.61) JAK2JAK3JAK1
SCHEMBL2377667 0.83 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.