SCHEMBL2378129

SCHEMBL2378129

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.35
JAK2 O60674 6/20 0.35
OPRD1 P41143 1/20 0.35
CHEK2 O96017 1/20 0.33
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
DPP4 P27487 1/20 0.32
JAK1 P23458 4/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
DGAT1 O75907 2/20 0.31
GRIN2B Q13224 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
NAMPT P43490 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
SCHEMBL2379002 0.98 HCRTR1 (0.34) JAK3JAK2OPRD1CHEK2PDCD1
SCHEMBL2378512 0.93 DPP4 (0.33) JAK3JAK2OPRD1DPP4JAK1
SCHEMBL2378019 0.92 CHEK2 (0.35) JAK3JAK2CHEK2JAK1HCRTR1
SCHEMBL2379368 0.91 HCRTR1 (0.34) JAK3JAK2OPRD1DPP4JAK1
SCHEMBL2379014 0.90 OPRD1 (0.41) OPRD1CHEK2
SCHEMBL2377584 0.90 CHEK2 (0.36) JAK3JAK2CHEK2DGAT1
SCHEMBL2378288 0.88 PRMT5 (0.40) OPRD1CHEK2
SCHEMBL2378996 0.87 JAK2 (0.37) JAK3JAK2JAK1NAMPT
SCHEMBL2377749 0.87 JAK2 (0.37) JAK3JAK2JAK1DGAT1
SCHEMBL2377819 0.86 JAK2 (0.42) JAK3JAK2CHEK2BRD4

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 JAK3 2/4885JAK2 5/4885OPRD1 2588/4885

“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.