SCHEMBL22176843

SCHEMBL22176843

COC(=O)c1cc2[nH]ncc2cc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ ATR Q13535 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ JAK2 O60674 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
SCHEMBL28087713 0.94 L3MBTL1 (0.41) MAPTATRL3MBTL1IRAK4ROCK2
SCHEMBL16845708 0.85 L3MBTL1 (0.57) MAPTL3MBTL1ROCK2ROCK1MEN1
SCHEMBL16845737 0.84 IRAK4 (0.51) L3MBTL1IRAK4MEN1KMT2ANPC1
SCHEMBL16845739 0.84 L3MBTL1 (0.43) MAPTL3MBTL1IRAK4ROCK2ROCK1
SCHEMBL16845713 0.82 AXL (0.43) MAPTL3MBTL1IRAK4ROCK2ROCK1
SCHEMBL16845710 0.82 ROCK1 (0.47) MAPTL3MBTL1ROCK2ROCK1MEN1
SCHEMBL22176838 0.81 L3MBTL1 (0.41) MAPTL3MBTL1IRAK4ROCK2ROCK1
SCHEMBL16845644 0.79 TRPA1 (0.44) MAPTL3MBTL1IRAK4ROCK2ROCK1
SCHEMBL16845744 0.79 MKNK1 (0.52) L3MBTL1IRAK4ROCK2ROCK1MKNK1
SCHEMBL24651346 0.77 MAPT (0.39) MAPTL3MBTL1TSHRIRAK4ROCK2

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
US-20220204473-A1 COMPOUND AS IRAK INHIBITOR WUHAN CREATERNA SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2022-06-30 — — US disclosed
EP-3889150-A1 COMPOUND SERVING AS IRAK INHIBITOR Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2021-10-06 — — EP disclosed
WO-2020135513-A1 COMPOUND SERVING AS IRAK INHIBITOR 上海美悦生物科技发展有限公司 2020-07-02 — — 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-20220204473-A1 COMPOUND AS IRAK INHIBITOR IRAK1, IRAK3, IRAK2 MAPT 1003/4885ATR 217/4885L3MBTL1 508/4885

“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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