SCHEMBL9654279

SCHEMBL9654279

Brc1cccc(-c2cnc3ccccc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BIRC5 O15392 1/20 1.00
▸ CYP2A6 P11509 1/20 0.58
▸ MAP4K4 O95819 1/20 0.57
▸ CSNK1G2 P78368 1/20 0.57
▸ CLK4 Q9HAZ1 1/20 0.57
▸ MKNK2 Q9HBH9 1/20 0.57
▸ MAP4K5 Q9Y4K4 1/20 0.57
▸ PDGFRB P09619 3/20 0.57
▸ PDGFRA P16234 3/20 0.57
▸ PIK3CD O00329 2/20 0.55
▸ PIK3CA P42336 2/20 0.55
▸ PIK3CB P42338 1/20 0.51
▸ MTOR P42345 1/20 0.51
▸ PIK3CG P48736 1/20 0.51
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ GABRG2 P18507 3/20 0.49
▸ GABRB3 P28472 3/20 0.49

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
SCHEMBL29931577 1.00 BIRC5 (1.00) BIRC5CYP2A6MAP4K4CSNK1G2CLK4
SCHEMBL30323720 0.87 BIRC5 (0.77) BIRC5CYP2A6MAP4K4CSNK1G2CLK4
SCHEMBL27631118 0.87 BIRC5 (0.77) BIRC5CYP2A6MAP4K4CSNK1G2CLK4
SCHEMBL32667946 0.83 PDGFRB (0.77) BIRC5CYP2A6MAP4K4CSNK1G2CLK4
SCHEMBL2772360 0.83 PDGFRB (0.77) BIRC5CYP2A6MAP4K4CSNK1G2CLK4
SCHEMBL3822492 0.83 BIRC5 (0.71) BIRC5CYP2A6MAP4K4CSNK1G2CLK4
SCHEMBL24871233 0.82 BIRC5 (0.70) BIRC5CYP2A6MAP4K4CSNK1G2CLK4
SCHEMBL9271431 0.82 BIRC5 (0.70) BIRC5CYP2A6MAP4K4CSNK1G2CLK4
SCHEMBL18943847 0.81 BIRC5 (0.68) BIRC5CYP2A6MAP4K4CSNK1G2CLK4
SCHEMBL708999 0.81 PDGFRB (0.75) BIRC5CYP2A6MAP4K4CSNK1G2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199654-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF SUZHOU GUOKUANG PHARMTECH. CO., LTD. (CN) 2024-06-20 — — US disclosed
EP-4310081-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF Suzhou Guokuang Pharmtech. Co., Ltd. (CN) 2024-01-24 — — EP disclosed
EP-4310081-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF Suzhou Guokuang Pharmtech. Co., Ltd. (CN) 2024-01-24 — — EP disclosed
CN-117157284-A CTLA-4 small molecule degradation agent and application thereof 苏州国匡医药科技有限公司 2023-12-01 — — CN disclosed
WO-2022194248-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF 苏州国匡医药科技有限公司 2022-09-22 — — WO disclosed
US-5128335-A Antibiotics MERCK & CO., INC. (US) 1992-07-07 — — US disclosed
EP-0481662-A1 2-Heteroarylphenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-04-22 — — EP 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-20240199654-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF CD274, PDCD1, PDCD1LG2 BIRC5 453/4885CYP2A6 1624/4885MAP4K4 946/4885

“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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