SCHEMBL25893900

SCHEMBL25893900

CC(C)(O)[C@H](O)CN1CCc2cc(C(=O)Nc3cccc(Br)c3Cl)ncc2C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 9/20 0.42
▸ PDCD1 Q15116 3/20 0.38
▸ CD274 Q9NZQ7 3/20 0.38
▸ PRMT5 O14744 6/20 0.37
▸ WDR77 Q9BQA1 6/20 0.37
▸ CARM1 Q86X55 1/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ ABCG2 Q9UNQ0 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
SCHEMBL25313988 0.91 MAP3K5 (0.42) MAP3K5PDCD1CD274
SCHEMBL24127335 0.91 MAP3K5 (0.42) MAP3K5PDCD1CD274
SCHEMBL30596005 0.91 MAP3K5 (0.42) MAP3K5PDCD1CD274
SCHEMBL25312939 0.90 PDCD1 (0.47) MAP3K5PDCD1CD274PRMT5WDR77
SCHEMBL30389787 0.90 PDCD1 (0.47) MAP3K5PDCD1CD274PRMT5WDR77
SCHEMBL24127439 0.90 PDCD1 (0.47) MAP3K5PDCD1CD274PRMT5WDR77
SCHEMBL30595971 0.89 MAP3K5 (0.40) MAP3K5PDCD1CD274PRMT5WDR77
SCHEMBL24127327 0.89 MAP3K5 (0.40) MAP3K5PDCD1CD274PRMT5WDR77
SCHEMBL30595962 0.87 PRMT5 (0.42) MAP3K5PDCD1CD274PRMT5WDR77
SCHEMBL24127333 0.87 PRMT5 (0.42) MAP3K5PDCD1CD274PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234970-A1 IMMUNOSUPPRESSANT, AND PREPARATION METHOD THEREFOR AND USE THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-07-27 — — US 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-20230234970-A1 IMMUNOSUPPRESSANT, AND PREPARATION METHOD THEREFOR AND USE THEREOF CD274, PDCD1, PDCD1LG2 MAP3K5 341/4885PDCD1 2/4885CD274 1/4885

“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.

Send feedback