SCHEMBL30072025

SCHEMBL30072025

COc1cc(Cn2cnc(=O)[nH]c2=O)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.46
ROCK1 Q13464 4/20 0.43
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
AURKA O14965 1/20 0.38
PRKCB P05771 1/20 0.38
GRK2 P25098 1/20 0.38
AKT1 P31749 1/20 0.38
GRK5 P34947 1/20 0.38
GRK6 P43250 1/20 0.38
CAMK2B Q13554 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
GRK7 Q8WTQ7 1/20 0.38
P2RX3 P56373 2/20 0.37
GAA P10253 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL30071914 0.85 CYP11B2 (0.51) ROCK2ROCK1TP53KDM4EGAA
SCHEMBL30071733 0.81 CYP11B1 (0.48) KDM4ECYP11B2
SCHEMBL30072144 0.78 DBH (0.41) ROCK2KDM4EGRIN1GRIN2B
SCHEMBL30072152 0.75 TP53 (0.50) TP53KDM4ECYP11B2
SCHEMBL30595217 0.74 PARN (0.54) RXFP1GAACYP11B2
SCHEMBL30320602 0.74 DUT (0.50) ROCK2TP53MTNR1AMTNR1BL3MBTL1
SCHEMBL30071806 0.73 BRD4 (0.49) TP53P2RX3GAAL3MBTL1CYP11B2
SCHEMBL30072048 0.72 CYP11B2 (0.46) KDM4EGAACYP11B2
SCHEMBL30072054 0.72 CYP11B2 (0.46) KDM4EGAACYP11B2
SCHEMBL11098685 0.71 ADORA2A (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221424-B2 3-tetrazolylmethyl-1,3,5-triazin-2,4-dione compound inhibiting coronavirus 3CL protease activity and preparation method and use thereof Shaanxi Panlong Pharmaceutical Co., Ltd. (CN) 2025-02-11 US disclosed
CN-115260167-B 3-Tetrazolylmethyl-1, 3, 5-triazine-2, 4-dione compound and preparation method and application thereof 陕西盘龙药业集团股份有限公司 2025-01-21 CN disclosed
CN-117186077-A 3-triazolylmethyl-1, 3, 5-triazine-2, 4-dione compound and preparation method and application thereof 陕西盘龙药业集团股份有限公司 2023-12-08 CN disclosed
US-20230391736-A1 3-TETRAZOLYLMETHYL-1,3,5-TRIAZIN-2,4-DIONE COMPOUND INHIBITING CORONAVIRUS 3CL PROTEASE ACTIVITY AND PREPARATION METHOD AND USE THEREOF Shaanxi Panlong Pharmaceutical Co., Ltd. (CN) 2023-12-07 US disclosed
US-11612603-B1 3-triazolyl methyl-1,3,5-triazine-2,4-dione compounds and preparation method and application thereof Shaanxi Panlong Pharmaceutical Co., Ltd. (CN) 2023-03-28 US disclosed
CN-115260167-A 3-tetrazolylmethyl-1, 3, 5-triazine-2, 4-diketone compound and preparation method and application thereof 陕西盘龙药业集团股份有限公司 2022-11-01 CN 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 (3 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-11612603-B1 3-triazolyl methyl-1,3,5-triazine-2,4-dione compounds and preparation method and application thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TERT, TAAR5 ROCK2 661/4885ROCK1 440/4885TP53 2907/4885
US-12221424-B2 3-tetrazolylmethyl-1,3,5-triazin-2,4-dione compound inhibiting coronavirus 3CL protease activity and preparation method and use thereof ACE2, ACE, GTF3C3 ROCK2 2464/4885ROCK1 2622/4885TP53 2519/4885
US-20230391736-A1 3-TETRAZOLYLMETHYL-1,3,5-TRIAZIN-2,4-DIONE COMPOUND INHIBITING CORONAVIRUS 3CL PROTEASE ACTIVITY AND PREPARATION METHOD AND USE THEREOF ACE2, ACE, GTF3C3 ROCK2 2464/4885ROCK1 2622/4885TP53 2519/4885

“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.