SCHEMBL21723833

SCHEMBL21723833

COc1nn(CCN(C)C)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ MAP3K5 Q99683 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21724023 0.83 TEAD2 (0.39) ALDH1A1CYP1A2KDM4ETP53HPGD
SCHEMBL20524617 0.82 KMT2A (0.42) KMT2APOLBTDP1ALDH1A1MAP3K5
SCHEMBL21723855 0.82 MAP3K5 (0.45) KMT2APOLBTDP1IKBKBALDH1A1
SCHEMBL21724299 0.80 MAP3K5 (0.42) KMT2APOLBTDP1ALDH1A1MAP3K5
SCHEMBL20524627 0.80 POLB (0.41) KMT2APOLBTDP1ALDH1A1MAP3K5
SCHEMBL22712271 0.78 POLB (0.40) KMT2APOLBTDP1ALDH1A1MAP3K5
SCHEMBL2516540 0.77 POLB (0.44) KMT2APOLBTDP1MAP3K5GAA
SCHEMBL18229838 0.76 FGFR1 (0.34) IRAK4IKBKBCNR2
Hydrochloric Acid SCHEMBL29002478 0.76 POLB (0.43) KMT2APOLBTDP1MAP3K5GAA
SCHEMBL21724076 0.75 ALDH1A1 (0.42) KMT2APOLBTDP1KDM5BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999715-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2024-06-04 — — US disclosed
EP-3837251-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-06-21 — — EP disclosed
EP-3837251-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-06-21 — — EP disclosed
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 — — US disclosed
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 — — US disclosed
CN-113227070-A ASK1 inhibitors 比奥根MA公司 2021-08-06 — — CN disclosed
EP-3837251-A1 ASK1 INHIBITING AGENTS Biogen MA Inc. (US) 2021-06-23 — — EP disclosed
WO-2020036949-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2020-02-20 — — WO disclosed
WO-2020036949-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2020-02-20 — — 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 (2 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-20210317103-A1 ASK1 INHIBITING AGENTS MAP3K1, MAP3K6, MAP3K10 KMT2A 3569/4885POLB 3166/4885TDP1 148/4885
US-11999715-B2 ASK1 inhibiting agents MAP3K1, MAP3K6, MAP3K10 KMT2A 3569/4885POLB 3166/4885TDP1 148/4885

“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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