SCHEMBL24424530

SCHEMBL24424530

NCC1CCn2cncc2C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.34
▸ AKT2 P31751 3/20 0.33
▸ ROCK2 O75116 2/20 0.32
▸ ROCK1 Q13464 2/20 0.32
▸ CDC42BPB Q9Y5S2 1/20 0.32
▸ CHEK1 O14757 2/20 0.32
▸ CHEK2 O96017 2/20 0.32
▸ HRH4 Q9H3N8 2/20 0.31
▸ CXCR4 P61073 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.30
▸ CYP19A1 P11511 4/20 0.30
▸ CYP11B1 P15538 3/20 0.30
▸ CYP11B2 P19099 3/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL24424515 0.75 ADH1B (0.38) —
SCHEMBL23623038 0.69 IDO1 (0.33) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL24928597 0.69 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL15729508 0.66 HTR5A (0.44) NCF1AKT2ROCK2ROCK1CDC42BPB
SCHEMBL20225483 0.65 MAPT (0.32) —
SCHEMBL24311863 0.64 CYP11B1 (0.39) CYP11B1CYP11B2
SCHEMBL24928605 0.61 — —
SCHEMBL23729877 0.61 — —
Hydrochloric Acid SCHEMBL25303729 0.59 CYP17A1 (0.37) —
SCHEMBL368186 0.59 — —

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
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
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 NCF1 1702/4885AKT2 1265/4885ROCK2 3183/4885

“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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