SCHEMBL30258652

SCHEMBL30258652

COc1cc(NC(=O)OC(C)(C)C)ncc1C(=O)Nc1ccn(C(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
RAB9A P51151 11/20 0.38
NPC1 O15118 10/20 0.38
MITF O75030 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
MEN1 O00255 1/20 0.37
PTGER1 P34995 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ABCC1 P33527 1/20 0.36
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 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
SCHEMBL22834914 0.84 RAB9A (0.43) ABCB1RAB9ANPC1MITFTP53
SCHEMBL22842977 0.82 ABCB1 (0.40) ABCB1RAB9ANPC1MITFTP53
SCHEMBL22842963 0.81 GRIN2B (0.41) GSK3BDYRK1ARAB9ANPC1TP53
SCHEMBL30258809 0.81 GRIN2B (0.41) GSK3BDYRK1ARAB9ANPC1TP53
Trifluoroacetic Acid SCHEMBL22834915 0.79 RIPK1 (0.37) ABCB1RAB9ANPC1MITFTP53
SCHEMBL22842998 0.78 NPC1 (0.58) ABCB1RAB9ANPC1MITFTP53
SCHEMBL22842960 0.76 SORT1 (0.48) ABCB1GSK3BDYRK1ARAB9ANPC1
SCHEMBL22842964 0.76 IRAK4 (0.46) ABCB1GSK3BDYRK1ARAB9ANPC1
SCHEMBL22842959 0.74 SYK (0.45) GSK3BDYRK1ARAB9ANPC1KMT2A
SCHEMBL29598205 0.74 SYK (0.45) GSK3BDYRK1ARAB9ANPC1KMT2A

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-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-03-23 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-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK2, IRAK1 ABCB1 1849/4885GSK3B 693/4885DYRK1A 841/4885

“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.