SCHEMBL21468906

SCHEMBL21468906

CCn1c(COC2CCCCO2)nn(-c2cc(F)c(C#N)cc2F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 20/20 0.41

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
SCHEMBL25162459 0.87 DHODH (0.41) DHODH
SCHEMBL29251241 0.87 DHODH (0.49) DHODH
SCHEMBL21469091 0.87 DHODH (0.49) DHODH
SCHEMBL22940782 0.87 DHODH (0.49) DHODH
SCHEMBL29251244 0.86 DHODH (0.39) DHODH
SCHEMBL24075279 0.85 DHODH (0.37) DHODH
SCHEMBL24074394 0.82 DHODH (0.38) DHODH
SCHEMBL25162460 0.81 DHODH (0.40) DHODH
SCHEMBL25162067 0.81 DHODH (0.48) DHODH
SCHEMBL24074401 0.80 DHODH (0.49) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112236426-B Process for preparing 2,4, 5-trisubstituted 1,2, 4-triazolones 拜耳股份有限公司 2024-07-05 — — CN disclosed
US-20230257362-A1 TRIAZOLONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-17 — — US disclosed
WO-2023093812-A1 CRYSTAL FORM OF TRIAZOLONE COMPOUND AND USE THEREOF 南京明德新药研发有限公司 2023-06-01 — — WO disclosed
EP-4166551-A1 TRIAZOLONE COMPOUND Medshine Discovery Inc. (CN) 2023-04-19 — — EP disclosed
US-11365179-B2 Method for the preparation of a 2,4,5-trisubstituted 1,2,4-triazolone BAYER AKTIENGESELLSCHAFT (DE) 2022-06-21 — — US disclosed
WO-2021238881-A1 TRIAZOLONE COMPOUND 南京明德新药研发有限公司 2021-12-02 — — WO disclosed
US-20210032212-A1 METHOD FOR THE PREPARATION OF A 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 2021-02-04 — — US disclosed
CN-112236426-A Process for preparing 2,4, 5-trisubstituted 1,2, 4-triazolones 拜耳股份有限公司 2021-01-15 — — CN disclosed
WO-2019197239-A1 METHOD FOR THE PREPARATION OF A 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 — — 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 (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-20230257362-A1 TRIAZOLONE COMPOUND WNK3, SLC10A1, WNK2 DHODH 3659/4885
US-20210032212-A1 METHOD FOR THE PREPARATION OF A 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONE TES, CYP51A1, CYP4B1 DHODH 1622/4885
US-11365179-B2 Method for the preparation of a 2,4,5-trisubstituted 1,2,4-triazolone TES, CYP51A1, CYP4B1 DHODH 1622/4885

“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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