SCHEMBL29588325

SCHEMBL29588325

O=Cc1cc(C2CC2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.49
▸ ERN1 O75460 7/20 0.37
▸ AKR1A1 P14550 2/20 0.33
▸ AKR1B1 P15121 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL20238499 1.00 ESR2 (0.49) ESR2ERN1AKR1A1AKR1B1DHODH
SCHEMBL3580981 0.85 ESR2 (0.45) ESR2ERN1AKR1A1AKR1B1ACMSD
SCHEMBL16961907 0.81 ESR2 (0.38) ESR2AKR1A1AKR1B1DHODHACMSD
SCHEMBL16959836 0.81 ABCC9 (0.38) ESR2AKR1A1AKR1B1DHODHCYP2D6
SCHEMBL26345314 0.81 ESR2 (0.35) ESR2AKR1A1AKR1B1DHODHCYP2D6
SCHEMBL13602803 0.78 ESR2 (0.43) ESR2AKR1A1AKR1B1DHODHACMSD
SCHEMBL13453553 0.78 ESR2 (0.43) ESR2AKR1A1AKR1B1USP30
SCHEMBL29954261 0.77 ESR2 (0.76) ESR2ERN1ACMSD
SCHEMBL16055541 0.77 ESR2 (0.76) ESR2ERN1ACMSD
SCHEMBL28321714 0.77 ESR2 (0.49) ESR2ERN1ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638680-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 — — CN disclosed
CN-119638681-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 — — CN disclosed
CN-119638682-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 — — CN disclosed
CN-116323598-B Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-11-15 — — CN disclosed
US-20240010639-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-01-11 — — US disclosed
EP-4249474-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-09-27 — — EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
WO-2022105852-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-05-27 — — 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-20240010639-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE MYLK2, TNNT2, TNNC1 ESR2 4262/4885ERN1 4360/4885AKR1A1 1300/4885

“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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