SCHEMBL1370955

SCHEMBL1370955

CC(C)(CO)CNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(N3CCC(C)(C)C3)nc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.34
DGAT1 O75907 7/20 0.33
KIF18A Q8NI77 1/20 0.33
JAK2 O60674 2/20 0.32
NTRK1 P04629 2/20 0.32
PIK3CD O00329 1/20 0.31
JAK3 P52333 1/20 0.30
CNR2 P34972 1/20 0.30
KLKB1 P03952 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
SCHEMBL14795084 0.86 KLKB1 (0.37) DGAT1JAK3KLKB1
SCHEMBL1370704 0.83 TYK2 (0.35) TYK2DGAT1JAK2NTRK1CNR2
SCHEMBL1370137 0.82 DGAT1 (0.38) TYK2DGAT1CNR2
SCHEMBL1371952 0.82 DGAT1 (0.35) DGAT1
SCHEMBL1369626 0.81 PDE10A (0.41) TYK2DGAT1JAK2JAK3CNR2
SCHEMBL1370596 0.80 DGAT1 (0.34) TYK2DGAT1CNR2
SCHEMBL1372031 0.80 TYK2 (0.35) TYK2DGAT1JAK2NTRK1CNR2
SCHEMBL1370485 0.78 TYK2 (0.33) TYK2DGAT1
SCHEMBL1368436 0.75 JAK3 (0.49) JAK3
SCHEMBL18210039 0.74 JAK3 (0.36) DGAT1JAK3KLKB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 TYK2 4/4885DGAT1 4772/4885KIF18A 4050/4885

“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.