SCHEMBL10099176

SCHEMBL10099176

C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1n1cc(Br)c2cnc3c(ccn3C(=O)OC(C)(C)C)c21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.43
JAK3 P52333 5/20 0.43
JAK1 P23458 3/20 0.43
SRC P12931 5/20 0.38
EGFR P00533 3/20 0.38
PIK3CD O00329 2/20 0.38
TYK2 P29597 1/20 0.38
GPR119 Q8TDV5 4/20 0.37
USP30 Q70CQ3 3/20 0.36
ABL1 P00519 2/20 0.36
ABL2 P42684 2/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL10099177 0.85 JAK2 (0.47) JAK2JAK3JAK1SRCEGFR
SCHEMBL565472 0.85 JAK2 (0.50) JAK2JAK3JAK1SRCEGFR
SCHEMBL13142572 0.84 JAK2 (0.57) JAK2JAK3JAK1TYK2
SCHEMBL10099292 0.83 JAK2 (0.36) JAK2JAK3JAK1SRCEGFR
SCHEMBL10099178 0.74 JAK2 (0.41) JAK2JAK3JAK1SRCPIK3CD
SCHEMBL566638 0.73 JAK2 (0.37) JAK2JAK3JAK1TYK2
SCHEMBL29855455 0.72 USP30 (0.43) JAK2JAK3JAK1PIK3CDUSP30
SCHEMBL22620251 0.72 USP30 (0.43) JAK2JAK3JAK1PIK3CDUSP30
SCHEMBL28674424 0.72 USP30 (0.43) JAK2JAK3JAK1PIK3CDUSP30
SCHEMBL14708451 0.72 JAK2 (0.75) JAK2JAK3JAK1TYK2

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-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.