SCHEMBL22086359

SCHEMBL22086359

CC(C)(C)OC(=O)Nc1cc(B(O)O)ccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.44
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ CYP17A1 P05093 4/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ IGF1R P08069 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ CCR2 P41597 2/20 0.38
▸ AAK1 Q2M2I8 2/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ P2RX3 P56373 1/20 0.36

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
SCHEMBL17143814 0.85 JAK2 (0.49) TGFBR1AAK1JAK2JAK1TYK2
SCHEMBL30693363 0.85 JAK2 (0.49) TGFBR1AAK1JAK2JAK1TYK2
SCHEMBL18342070 0.82 BCHE (0.44) —
SCHEMBL6177797 0.81 CYP17A1 (0.46) ATRGSK3BDYRK1AIRAK4CYP17A1
SCHEMBL29465812 0.81 KDM4D (0.47) ATRGSK3BDYRK1AIRAK4CYP17A1
SCHEMBL2080457 0.81 KDM4D (0.47) ATRGSK3BDYRK1AIRAK4CYP17A1
SCHEMBL29626657 0.81 CYP17A1 (0.46) ATRGSK3BDYRK1AIRAK4CYP17A1
SCHEMBL1192656 0.81 ATR (0.50) ATRGSK3BDYRK1AIRAK4CYP17A1
SCHEMBL828560 0.81 TP53 (0.51) —
SCHEMBL30953487 0.81 ATR (0.50) ATRGSK3BDYRK1AIRAK4CYP17A1

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
WO-2024191268-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 현대약품 주식회사 2024-09-19 — — WO disclosed
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 — — US disclosed
WO-2020115481-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-06-11 — — 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-20230055250-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K5, MAP4K1 ATR 1847/4885GSK3B 300/4885DYRK1A 854/4885

“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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