SCHEMBL566460

SCHEMBL566460

C[C@@H]1CCN(C(=O)O)C[C@@H]1n1ccc2cnc3c(ccn3COCC[Si](C)(C)C)c21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.46
JAK3 P52333 11/20 0.46
JAK1 P23458 8/20 0.46
TYK2 P29597 2/20 0.33
DGAT1 O75907 3/20 0.32
KLKB1 P03952 1/20 0.31
MAPT P10636 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
SCHEMBL566461 1.00 JAK2 (0.46) JAK2JAK3JAK1TYK2DGAT1
SCHEMBL566859 0.91 JAK2 (0.43) JAK2JAK3JAK1TYK2
SCHEMBL17350184 0.90 JAK2 (0.46) JAK2JAK3JAK1TYK2
SCHEMBL17350183 0.90 JAK2 (0.46) JAK2JAK3JAK1TYK2
SCHEMBL566638 0.86 JAK2 (0.37) JAK2JAK3JAK1TYK2DGAT1
SCHEMBL566896 0.86 JAK2 (0.42) JAK2JAK3JAK1DGAT1KLKB1
SCHEMBL10099290 0.84 JAK2 (0.33) JAK2JAK3JAK1DGAT1
SCHEMBL566656 0.84 JAK2 (0.43) JAK2JAK3JAK1TYK2
SCHEMBL14708565 0.82 JAK3 (0.52) JAK2JAK3JAK1TYK2
SCHEMBL14708545 0.82 JAK2 (0.45) JAK2JAK3JAK1TYK2DGAT1

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
EP-2420502-A1 FUSED PYRROLOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-02-22 EP disclosed
US-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885

“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.