SCHEMBL22843003

SCHEMBL22843003

COc1cnc2c(NC(=O)OC(C)(C)C)cnn2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 5/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ ACVR2A P27037 1/20 0.39
▸ TGFBR2 P37173 1/20 0.39
▸ PDE2A O00408 3/20 0.37
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ ATR Q13535 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ KDR P35968 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ PI4KB Q9UBF8 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
SCHEMBL22843008 0.84 ATR (0.41) IRAK4GSK3BDYRK1AMETAP1IDO1
SCHEMBL28718451 0.84 IRAK4 (0.37) IRAK4GSK3BDYRK1AMETAP1IDO1
SCHEMBL22834740 0.83 HSD11B1 (0.43) IRAK4HSD11B1ACVR2ATGFBR2PDE2A
SCHEMBL22842983 0.81 IDO1 (0.38) GSK3BDYRK1AMETAP1IDO1ATR
SCHEMBL22842961 0.81 IRAK4 (0.40) IRAK4PDE2AGSK3BDYRK1AMETAP1
SCHEMBL22842984 0.81 IDO1 (0.37) IRAK4GSK3BDYRK1AMETAP1IDO1
SCHEMBL24424242 0.74 EPHB3 (0.51) IRAK4GSK3BDYRK1ABRD9PIK3CA
SCHEMBL21339726 0.72 SMN1; SMN2 (0.41) DYRK1AMETAP1ATRBRD9MKNK2
SCHEMBL31093842 0.71 LCK (0.38) GSK3BDYRK1AMETAP1ATRBRD9
SCHEMBL28708582 0.71 ATR (0.46) METAP1ATRMKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114245796-B Imidazo [1,2-a ] pyridinyl derivatives and their use in the treatment of diseases 比奥根MA公司 2024-07-30 — — CN disclosed
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
EP-3990454-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 — — EP disclosed
CN-114245796-A Imidazo [1,2-a ] pyridinyl derivatives and their use in the treatment of disease 比奥根MA公司 2022-03-25 — — CN disclosed
WO-2020263980-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 — — WO 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 IRAK4 1/4885HSD11B1 3580/4885ACVR2A 821/4885

“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.

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