SCHEMBL24424325

SCHEMBL24424325

COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NCc4ncc(F)cc4Cl)CC34CC4)n[nH]2)c(F)cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ GNRHR P30968 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ WDR5 P61964 1/20 0.31
▸ TBK1 Q9UHD2 2/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL29583183 1.00 CHEK1 (0.33) CHEK1MAPK1BACE1GNRHRFFAR4
SCHEMBL24423894 0.94 HTR1A (0.32) CHEK1FFAR4WDR5TBK1KDM5A
SCHEMBL24424426 0.94 CHEK1 (0.33) CHEK1MAPK1FFAR4TBK1KDM5A
SCHEMBL24424311 0.93 CHEK1 (0.33) CHEK1FFAR4TBK1KDM5AEGLN1
SCHEMBL29584737 0.93 CHEK1 (0.33) CHEK1FFAR4TBK1KDM5AEGLN1
SCHEMBL25090941 0.93 CHEK1 (0.35) CHEK1FFAR4TBK1KDM5AEGLN1
SCHEMBL29583159 0.93 CHEK1 (0.35) CHEK1FFAR4TBK1KDM5AEGLN1
SCHEMBL24424552 0.92 CHEK1 (0.31) CHEK1
SCHEMBL24424553 0.92 CHEK1 (0.31) CHEK1
SCHEMBL25090482 0.92 CHEK1 (0.36) CHEK1TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 — — US disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — 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-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD CHEK1 4174/4885MAPK1 1659/4885BACE1 4429/4885

“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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