SCHEMBL565660

SCHEMBL565660

C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1n1ccc2cnc3c(c(Br)cn3COCC[Si](C)(C)C)c21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.42
JAK3 P52333 6/20 0.42
JAK1 P23458 4/20 0.42
SRC P12931 4/20 0.34
USP30 Q70CQ3 2/20 0.34
EGFR P00533 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
PIK3CD O00329 5/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
USP7 Q93009 1/20 0.32
ABL1 P00519 1/20 0.32
ABL2 P42684 1/20 0.32
TYK2 P29597 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
SCHEMBL565661 1.00 JAK2 (0.42) JAK2JAK3JAK1SRCUSP30
SCHEMBL566896 0.91 JAK2 (0.42) JAK2JAK3JAK1
SCHEMBL565545 0.89 JAK2 (0.51) JAK2JAK3JAK1SRCGPR119
SCHEMBL566859 0.87 JAK2 (0.43) JAK2JAK3JAK1SRCUSP30
SCHEMBL10099292 0.82 JAK2 (0.36) JAK2JAK3JAK1SRCUSP30
SCHEMBL10099178 0.80 JAK2 (0.41) JAK2JAK3JAK1SRCGPR119
SCHEMBL14708566 0.79 JAK2 (0.48) JAK2JAK3JAK1USP30USP7
SCHEMBL566460 0.77 JAK2 (0.46) JAK2JAK3JAK1TYK2
SCHEMBL566461 0.77 JAK2 (0.46) JAK2JAK3JAK1TYK2
SCHEMBL10099151 0.75 JAK2 (0.57) JAK2JAK3JAK1SRCEGFR

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 3 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
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.